2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]acetic acid

C13H20N6O5 — CID 18221341

IUPAC2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]acetic acid
SMILESNC(=O)CCC(NC(=O)C(N)Cc1cnc[nH]1)C(=O)NCC(=O)O
InChIInChI=1S/C13H20N6O5/c14-8(3-7-4-16-6-18-7)12(23)19-9(1-2-10(15)20)13(24)17-5-11(21)22/h4,6,8-9H,1-3,5,14H2,(H2,15,20)(H,16,18)(H,17,24)(H,19,23)(H,21,22)
InChIKeyHVCRQRQPIIRNLY-UHFFFAOYSA-N
MW340.34 g/mol
LogP-2.77
Rot. Bonds10

About 2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]acetic acid

2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]acetic acid (PubChem CID 18221341) has the molecular formula C13H20N6O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]acetic acid
PubChem CID18221341
Molecular FormulaC13H20N6O5
Molecular Weight340.34 g/mol
Exact Mass340.15
IUPAC Name2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]acetic acid
SMILESNC(=O)CCC(NC(=O)C(N)Cc1cnc[nH]1)C(=O)NCC(=O)O
InChIInChI=1S/C13H20N6O5/c14-8(3-7-4-16-6-18-7)12(23)19-9(1-2-10(15)20)13(24)17-5-11(21)22/h4,6,8-9H,1-3,5,14H2,(H2,15,20)(H,16,18)(H,17,24)(H,19,23)(H,21,22)
InChIKeyHVCRQRQPIIRNLY-UHFFFAOYSA-N
XLogP-2.77
TPSA193.29 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.34
LogP ≤ 5-2.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]acetic acid with MolForge

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Related Compounds

2-[[5-amino-2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]acetic acid
CID 18494356
3-amino-4-[[5-amino-1-[[1-(carboxymethylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid
CID 18249066
5-amino-2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-5-oxopentanoic acid
CID 18494772
2-[[2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]pentanedioic acid
CID 18495171
2-[[5-amino-2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]acetic acid
CID 18499933
(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 145455815
2-[[4-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoyl]amino]acetic acid
CID 18221261
2-[[2-[[5-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetic acid
CID 19952565
4-(carboxymethylamino)-3-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoic acid
CID 18480024
3-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-(carboxymethylamino)-4-oxobutanoic acid
CID 18221281
5-amino-2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]-5-oxopentanoic acid
CID 18494375
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]butanedioic acid
CID 145455813

Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]acetic acid?
The IUPAC name of 2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]acetic acid (CID 18221341) is 2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]acetic acid?
The canonical SMILES for 2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]acetic acid is NC(=O)CCC(NC(=O)C(N)Cc1cnc[nH]1)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]acetic acid?
The InChIKey is HVCRQRQPIIRNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O5/c14-8(3-7-4-16-6-18-7)12(23)19-9(1-2-10(15)20)13(24)17-5-11(21)22/h4,6,8-9H,1-3,5,14H2,(H2,15,20)(H,16,18)(H,17,24)(H,19,23)(H,21,22).
What are the key properties of 2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]acetic acid?
2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]acetic acid has a molecular weight of 340.34 g/mol, XLogP of -2.77, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]acetic acid is sourced from PubChem (CID 18221341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).