2-amino-3-(1-methylimidazol-4-yl)propanoic acid;2-[aminomethyl(methyl)amino]acetic acid;2-[carboxymethyl(methyl)amino]acetic acid;1-(1H-imidazol-5-yl)-N-(1H-imidazol-5-ylmethyl)-N-methylmethanamine;2-[1H-imidazol-5-ylmethyl(methyl)amino]acetic acid;N'-[2-(methylamino)ethyl]ethane-1,2-diamine;2-[methyl(pyridin-2-ylmethyl)amino]acetic acid;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine

C59H96N22O12 — CID 158128244

IUPAC2-amino-3-(1-methylimidazol-4-yl)propanoic acid;2-[aminomethyl(methyl)amino]acetic acid;2-[carboxymethyl(methyl)amino]acetic acid;1-(1H-imidazol-5-yl)-N-(1H-imidazol-5-ylmethyl)-N-methylmethanamine;2-[1H-imidazol-5-ylmethyl(methyl)amino]acetic acid;N'-[2-(methylamino)ethyl]ethane-1,2-diamine;2-[methyl(pyridin-2-ylmethyl)amino]acetic acid;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
SMILESCN(CC(=O)O)CC(=O)O.CN(CC(=O)O)Cc1ccccn1.CN(CC(=O)O)Cc1cnc[nH]1.CN(CN)CC(=O)O.CN(Cc1ccccn1)Cc1ccccn1.CN(Cc1cnc[nH]1)Cc1cnc[nH]1.CNCCNCCN.Cn1cnc(CC(N)C(=O)O)c1
InChIInChI=1S/C13H15N3.C9H13N5.C9H12N2O2.2C7H11N3O2.C5H15N3.C5H9NO4.C4H10N2O2/c1-16(10-12-6-2-4-8-14-12)11-13-7-3-5-9-15-13;1-14(4-8-2-10-6-12-8)5-9-3-11-7-13-9;1-11(7-9(12)13)6-8-4-2-3-5-10-8;1-10(4-7(11)12)3-6-2-8-5-9-6;1-10-3-5(9-4-10)2-6(8)7(11)12;1-7-4-5-8-3-2-6;1-6(2-4(7)8)3-5(9)10;1-6(3-5)2-4(7)8/h2-9H,10-11H2,1H3;2-3,6-7H,4-5H2,1H3,(H,10,12)(H,11,13);2-5H,6-7H2,1H3,(H,12,13);2,5H,3-4H2,1H3,(H,8,9)(H,11,12);3-4,6H,2,8H2,1H3,(H,11,12);7-8H,2-6H2,1H3;2-3H2,1H3,(H,7,8)(H,9,10);2-3,5H2,1H3,(H,7,8)
InChIKeyFSLHQZYWHJSKKM-UHFFFAOYSA-N
MW1305.56 g/mol
LogP-0.47
Rot. Bonds31

About 2-amino-3-(1-methylimidazol-4-yl)propanoic acid;2-[aminomethyl(methyl)amino]acetic acid;2-[carboxymethyl(methyl)amino]acetic acid;1-(1H-imidazol-5-yl)-N-(1H-imidazol-5-ylmethyl)-N-methylmethanamine;2-[1H-imidazol-5-ylmethyl(methyl)amino]acetic acid;N'-[2-(methylamino)ethyl]ethane-1,2-diamine;2-[methyl(pyridin-2-ylmethyl)amino]acetic acid;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine

2-amino-3-(1-methylimidazol-4-yl)propanoic acid;2-[aminomethyl(methyl)amino]acetic acid;2-[carboxymethyl(methyl)amino]acetic acid;1-(1H-imidazol-5-yl)-N-(1H-imidazol-5-ylmethyl)-N-methylmethanamine;2-[1H-imidazol-5-ylmethyl(methyl)amino]acetic acid;N'-[2-(methylamino)ethyl]ethane-1,2-diamine;2-[methyl(pyridin-2-ylmethyl)amino]acetic acid;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 158128244) has the molecular formula C59H96N22O12 and a molecular weight of 1305.56 g/mol. Its IUPAC name is 2-amino-3-(1-methylimidazol-4-yl)propanoic acid;2-[aminomethyl(methyl)amino]acetic acid;2-[carboxymethyl(methyl)amino]acetic acid;1-(1H-imidazol-5-yl)-N-(1H-imidazol-5-ylmethyl)-N-methylmethanamine;2-[1H-imidazol-5-ylmethyl(methyl)amino]acetic acid;N'-[2-(methylamino)ethyl]ethane-1,2-diamine;2-[methyl(pyridin-2-ylmethyl)amino]acetic acid;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name2-amino-3-(1-methylimidazol-4-yl)propanoic acid;2-[aminomethyl(methyl)amino]acetic acid;2-[carboxymethyl(methyl)amino]acetic acid;1-(1H-imidazol-5-yl)-N-(1H-imidazol-5-ylmethyl)-N-methylmethanamine;2-[1H-imidazol-5-ylmethyl(methyl)amino]acetic acid;N'-[2-(methylamino)ethyl]ethane-1,2-diamine;2-[methyl(pyridin-2-ylmethyl)amino]acetic acid;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
PubChem CID158128244
Molecular FormulaC59H96N22O12
Molecular Weight1305.56 g/mol
Exact Mass1304.76
IUPAC Name2-amino-3-(1-methylimidazol-4-yl)propanoic acid;2-[aminomethyl(methyl)amino]acetic acid;2-[carboxymethyl(methyl)amino]acetic acid;1-(1H-imidazol-5-yl)-N-(1H-imidazol-5-ylmethyl)-N-methylmethanamine;2-[1H-imidazol-5-ylmethyl(methyl)amino]acetic acid;N'-[2-(methylamino)ethyl]ethane-1,2-diamine;2-[methyl(pyridin-2-ylmethyl)amino]acetic acid;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
SMILESCN(CC(=O)O)CC(=O)O.CN(CC(=O)O)Cc1ccccn1.CN(CC(=O)O)Cc1cnc[nH]1.CN(CN)CC(=O)O.CN(Cc1ccccn1)Cc1ccccn1.CN(Cc1cnc[nH]1)Cc1cnc[nH]1.CNCCNCCN.Cn1cnc(CC(N)C(=O)O)c1
InChIInChI=1S/C13H15N3.C9H13N5.C9H12N2O2.2C7H11N3O2.C5H15N3.C5H9NO4.C4H10N2O2/c1-16(10-12-6-2-4-8-14-12)11-13-7-3-5-9-15-13;1-14(4-8-2-10-6-12-8)5-9-3-11-7-13-9;1-11(7-9(12)13)6-8-4-2-3-5-10-8;1-10(4-7(11)12)3-6-2-8-5-9-6;1-10-3-5(9-4-10)2-6(8)7(11)12;1-7-4-5-8-3-2-6;1-6(2-4(7)8)3-5(9)10;1-6(3-5)2-4(7)8/h2-9H,10-11H2,1H3;2-3,6-7H,4-5H2,1H3,(H,10,12)(H,11,13);2-5H,6-7H2,1H3,(H,12,13);2,5H,3-4H2,1H3,(H,8,9)(H,11,12);3-4,6H,2,8H2,1H3,(H,11,12);7-8H,2-6H2,1H3;2-3H2,1H3,(H,7,8)(H,9,10);2-3,5H2,1H3,(H,7,8)
InChIKeyFSLHQZYWHJSKKM-UHFFFAOYSA-N
XLogP-0.47
TPSA487.89 Ų
H-Bond Donors14
H-Bond Acceptors25
Rotatable Bonds31
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001305.56
LogP ≤ 5-0.47
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-amino-3-(1-methylimidazol-4-yl)propanoic acid;2-[aminomethyl(methyl)amino]acetic acid;2-[carboxymethyl(methyl)amino]acetic acid;1-(1H-imidazol-5-yl)-N-(1H-imidazol-5-ylmethyl)-N-methylmethanamine;2-[1H-imidazol-5-ylmethyl(methyl)amino]acetic acid;N'-[2-(methylamino)ethyl]ethane-1,2-diamine;2-[methyl(pyridin-2-ylmethyl)amino]acetic acid;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine with MolForge

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Related Compounds

methyl (2S)-2-[[4-(dimethylamino)-6-[[[(1S)-1-(1H-imidazol-4-ylmethyl)-2-methoxy-2-oxo-ethyl]amino]methyl]-2-pyridyl]methylamino]-3-(1H-imidazol-4-yl)propanoate
CID 455957
methyl (2S)-2-[[4-(dimethylamino)-6-[[[(2S)-1-methoxy-3-(1-methylimidazol-4-yl)-1-oxopropan-2-yl]amino]methyl]-2-pyridinyl]methylamino]-3-(1H-imidazol-5-yl)propanoate
CID 122185654
(4S)-1-methyl-4-(5'-phenyl-1H,3'H-4,4'-biimidazol-3'-yl)-L-proline
CID 70781373
2-(2,5-Dimethyl-pyrrol-1-yl)-3-(1H-imidazol-4-yl)-propionic acid
CID 3154321
(2S)-2-(2,5-dimethylpyrrol-1-yl)-3-(1H-imidazol-5-yl)propanoic acid
CID 819779
CG-P1-A1-HBD1 N-(2-pyridylmethyl)-2,2-biimidazole, HOOC-(CH2)2-COOH
CID 139050433
dodecanedioic acid;bis(2-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine)
CID 139050439
CG-P2-A2-HBD2 [N-(3-pyridylmethyl)-2,2-biimidazole]2, HOOC-(CH2)4-COOH
CID 139050440
(2S)-2-[bis(pyridin-2-ylmethyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 10601556
methyl (2S)-2-[bis(pyridin-2-ylmethyl)amino]-3-(1H-imidazol-5-yl)propanoate
CID 100920498
(2R,4S)-4-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]-1-pyridin-2-ylpyrrolidine-2-carboxylic acid
CID 121483638
(2S)-3-(1H-imidazol-5-yl)-2-[(6-methyl-2-pyridinyl)methylamino]propanoic acid
CID 139821924

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-methylimidazol-4-yl)propanoic acid;2-[aminomethyl(methyl)amino]acetic acid;2-[carboxymethyl(methyl)amino]acetic acid;1-(1H-imidazol-5-yl)-N-(1H-imidazol-5-ylmethyl)-N-methylmethanamine;2-[1H-imidazol-5-ylmethyl(methyl)amino]acetic acid;N'-[2-(methylamino)ethyl]ethane-1,2-diamine;2-[methyl(pyridin-2-ylmethyl)amino]acetic acid;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 2-amino-3-(1-methylimidazol-4-yl)propanoic acid;2-[aminomethyl(methyl)amino]acetic acid;2-[carboxymethyl(methyl)amino]acetic acid;1-(1H-imidazol-5-yl)-N-(1H-imidazol-5-ylmethyl)-N-methylmethanamine;2-[1H-imidazol-5-ylmethyl(methyl)amino]acetic acid;N'-[2-(methylamino)ethyl]ethane-1,2-diamine;2-[methyl(pyridin-2-ylmethyl)amino]acetic acid;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (CID 158128244) is 2-amino-3-(1-methylimidazol-4-yl)propanoic acid;2-[aminomethyl(methyl)amino]acetic acid;2-[carboxymethyl(methyl)amino]acetic acid;1-(1H-imidazol-5-yl)-N-(1H-imidazol-5-ylmethyl)-N-methylmethanamine;2-[1H-imidazol-5-ylmethyl(methyl)amino]acetic acid;N'-[2-(methylamino)ethyl]ethane-1,2-diamine;2-[methyl(pyridin-2-ylmethyl)amino]acetic acid;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 2-amino-3-(1-methylimidazol-4-yl)propanoic acid;2-[aminomethyl(methyl)amino]acetic acid;2-[carboxymethyl(methyl)amino]acetic acid;1-(1H-imidazol-5-yl)-N-(1H-imidazol-5-ylmethyl)-N-methylmethanamine;2-[1H-imidazol-5-ylmethyl(methyl)amino]acetic acid;N'-[2-(methylamino)ethyl]ethane-1,2-diamine;2-[methyl(pyridin-2-ylmethyl)amino]acetic acid;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 2-amino-3-(1-methylimidazol-4-yl)propanoic acid;2-[aminomethyl(methyl)amino]acetic acid;2-[carboxymethyl(methyl)amino]acetic acid;1-(1H-imidazol-5-yl)-N-(1H-imidazol-5-ylmethyl)-N-methylmethanamine;2-[1H-imidazol-5-ylmethyl(methyl)amino]acetic acid;N'-[2-(methylamino)ethyl]ethane-1,2-diamine;2-[methyl(pyridin-2-ylmethyl)amino]acetic acid;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is CN(CC(=O)O)CC(=O)O.CN(CC(=O)O)Cc1ccccn1.CN(CC(=O)O)Cc1cnc[nH]1.CN(CN)CC(=O)O.CN(Cc1ccccn1)Cc1ccccn1.CN(Cc1cnc[nH]1)Cc1cnc[nH]1.CNCCNCCN.Cn1cnc(CC(N)C(=O)O)c1.
What is the InChIKey of 2-amino-3-(1-methylimidazol-4-yl)propanoic acid;2-[aminomethyl(methyl)amino]acetic acid;2-[carboxymethyl(methyl)amino]acetic acid;1-(1H-imidazol-5-yl)-N-(1H-imidazol-5-ylmethyl)-N-methylmethanamine;2-[1H-imidazol-5-ylmethyl(methyl)amino]acetic acid;N'-[2-(methylamino)ethyl]ethane-1,2-diamine;2-[methyl(pyridin-2-ylmethyl)amino]acetic acid;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is FSLHQZYWHJSKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3.C9H13N5.C9H12N2O2.2C7H11N3O2.C5H15N3.C5H9NO4.C4H10N2O2/c1-16(10-12-6-2-4-8-14-12)11-13-7-3-5-9-15-13;1-14(4-8-2-10-6-12-8)5-9-3-11-7-13-9;1-11(7-9(12)13)6-8-4-2-3-5-10-8;1-10(4-7(11)12)3-6-2-8-5-9-6;1-10-3-5(9-4-10)2-6(8)7(11)12;1-7-4-5-8-3-2-6;1-6(2-4(7)8)3-5(9)10;1-6(3-5)2-4(7)8/h2-9H,10-11H2,1H3;2-3,6-7H,4-5H2,1H3,(H,10,12)(H,11,13);2-5H,6-7H2,1H3,(H,12,13);2,5H,3-4H2,1H3,(H,8,9)(H,11,12);3-4,6H,2,8H2,1H3,(H,11,12);7-8H,2-6H2,1H3;2-3H2,1H3,(H,7,8)(H,9,10);2-3,5H2,1H3,(H,7,8).
What are the key properties of 2-amino-3-(1-methylimidazol-4-yl)propanoic acid;2-[aminomethyl(methyl)amino]acetic acid;2-[carboxymethyl(methyl)amino]acetic acid;1-(1H-imidazol-5-yl)-N-(1H-imidazol-5-ylmethyl)-N-methylmethanamine;2-[1H-imidazol-5-ylmethyl(methyl)amino]acetic acid;N'-[2-(methylamino)ethyl]ethane-1,2-diamine;2-[methyl(pyridin-2-ylmethyl)amino]acetic acid;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
2-amino-3-(1-methylimidazol-4-yl)propanoic acid;2-[aminomethyl(methyl)amino]acetic acid;2-[carboxymethyl(methyl)amino]acetic acid;1-(1H-imidazol-5-yl)-N-(1H-imidazol-5-ylmethyl)-N-methylmethanamine;2-[1H-imidazol-5-ylmethyl(methyl)amino]acetic acid;N'-[2-(methylamino)ethyl]ethane-1,2-diamine;2-[methyl(pyridin-2-ylmethyl)amino]acetic acid;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 1305.56 g/mol, XLogP of -0.47, 31 rotatable bonds, 14 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-methylimidazol-4-yl)propanoic acid;2-[aminomethyl(methyl)amino]acetic acid;2-[carboxymethyl(methyl)amino]acetic acid;1-(1H-imidazol-5-yl)-N-(1H-imidazol-5-ylmethyl)-N-methylmethanamine;2-[1H-imidazol-5-ylmethyl(methyl)amino]acetic acid;N'-[2-(methylamino)ethyl]ethane-1,2-diamine;2-[methyl(pyridin-2-ylmethyl)amino]acetic acid;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 158128244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).