2-(1H-imidazol-5-yl)-2-(methylamino)acetic acid

C6H9N3O2 — CID 20699086

IUPAC2-(1H-imidazol-5-yl)-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)c1cnc[nH]1
InChIInChI=1S/C6H9N3O2/c1-7-5(6(10)11)4-2-8-3-9-4/h2-3,5,7H,1H3,(H,8,9)(H,10,11)
InChIKeyCIHIPIAJEKMMNR-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.25
Rot. Bonds3

About 2-(1H-imidazol-5-yl)-2-(methylamino)acetic acid

2-(1H-imidazol-5-yl)-2-(methylamino)acetic acid (PubChem CID 20699086) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-2-(methylamino)acetic acid.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-2-(methylamino)acetic acid
PubChem CID20699086
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name2-(1H-imidazol-5-yl)-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)c1cnc[nH]1
InChIInChI=1S/C6H9N3O2/c1-7-5(6(10)11)4-2-8-3-9-4/h2-3,5,7H,1H3,(H,8,9)(H,10,11)
InChIKeyCIHIPIAJEKMMNR-UHFFFAOYSA-N
XLogP-0.25
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(1H-imidazol-5-yl)-2-(methylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride
CID 67550386
2-(3-aminopropanoylamino)-2-(1H-imidazol-5-yl)acetic acid
CID 10176709
methyl 2-amino-2-(1H-imidazol-5-yl)acetate
CID 20624250
(2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoic acid;hydrochloride
CID 18611837
(2S)-2,5-diamino-3-(1H-imidazol-5-yl)-4-oxohexanoic acid
CID 69387162
2-(1H-imidazol-5-yl)-2-(methylamino)acetonitrile
CID 84817577
methyl 2-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 149222122
2-amino-3-(1H-imidazol-5-yl)-4-oxohexanoic acid
CID 174776240
(2S)-3-(1H-imidazol-5-yl)-2-pyrrol-1-ylbutanoic acid
CID 118492450
2-[[4-(cyclohexylmethylamino)-6-[2-(4-methylpiperazin-1-yl)ethylamino]-1,3,5-triazin-2-yl]amino]-2-(1H-imidazol-5-yl)acetic acid
CID 175529745
(2S,3S)-2-azaniumyl-3-hydroxy-3-(1H-imidazol-5-yl)propanoate
CID 10219609
N-[1-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide
CID 171148172

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-2-(methylamino)acetic acid?
The IUPAC name of 2-(1H-imidazol-5-yl)-2-(methylamino)acetic acid (CID 20699086) is 2-(1H-imidazol-5-yl)-2-(methylamino)acetic acid.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-2-(methylamino)acetic acid?
The canonical SMILES for 2-(1H-imidazol-5-yl)-2-(methylamino)acetic acid is CNC(C(=O)O)c1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-2-(methylamino)acetic acid?
The InChIKey is CIHIPIAJEKMMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-7-5(6(10)11)4-2-8-3-9-4/h2-3,5,7H,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-(1H-imidazol-5-yl)-2-(methylamino)acetic acid?
2-(1H-imidazol-5-yl)-2-(methylamino)acetic acid has a molecular weight of 155.16 g/mol, XLogP of -0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-2-(methylamino)acetic acid is sourced from PubChem (CID 20699086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).