2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]azetidine-1-carboxylic acid

C10H14N4O3 — CID 22341678

IUPAC2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]azetidine-1-carboxylic acid
SMILESNC(Cc1cnc[nH]1)C(=O)C1CCN1C(=O)O
InChIInChI=1S/C10H14N4O3/c11-7(3-6-4-12-5-13-6)9(15)8-1-2-14(8)10(16)17/h4-5,7-8H,1-3,11H2,(H,12,13)(H,16,17)
InChIKeyJMQZPDMVKNIGSW-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.40
Rot. Bonds4

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

2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]azetidine-1-carboxylic acid (PubChem CID 22341678) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]azetidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]azetidine-1-carboxylic acid
PubChem CID22341678
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]azetidine-1-carboxylic acid
SMILESNC(Cc1cnc[nH]1)C(=O)C1CCN1C(=O)O
InChIInChI=1S/C10H14N4O3/c11-7(3-6-4-12-5-13-6)9(15)8-1-2-14(8)10(16)17/h4-5,7-8H,1-3,11H2,(H,12,13)(H,16,17)
InChIKeyJMQZPDMVKNIGSW-UHFFFAOYSA-N
XLogP-0.40
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]azetidine-1-carboxylic 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

(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxypyrrolidine-2-carboxylic acid
CID 69288367
(2R)-2-amino-3-(1H-imidazol-5-yl)propanamide
CID 22877832
(2S)-2-amino-3-((2,4-13C2)1H-imidazol-5-yl)(113C)propanoic acid
CID 102176482
2-amino-3-(1H-imidazol-5-yl)propanoic acid;molybdenum
CID 174573236
2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124499
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane
CID 173470688
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124498
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury
CID 174719517
2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium
CID 88748580
2-amino-3-(1H-imidazol-5-yl)propanamide;2-amino-3-(1H-imidazol-5-yl)propanoic acid
CID 174499457
2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrate;hydrochloride
CID 517335
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;zinc;dihydrate
CID 67532812

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]azetidine-1-carboxylic acid?
The IUPAC name of 2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]azetidine-1-carboxylic acid (CID 22341678) is 2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]azetidine-1-carboxylic acid.
What is the SMILES notation for 2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]azetidine-1-carboxylic acid?
The canonical SMILES for 2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]azetidine-1-carboxylic acid is NC(Cc1cnc[nH]1)C(=O)C1CCN1C(=O)O.
What is the InChIKey of 2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]azetidine-1-carboxylic acid?
The InChIKey is JMQZPDMVKNIGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-7(3-6-4-12-5-13-6)9(15)8-1-2-14(8)10(16)17/h4-5,7-8H,1-3,11H2,(H,12,13)(H,16,17).
What are the key properties of 2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]azetidine-1-carboxylic acid?
2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]azetidine-1-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of -0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]azetidine-1-carboxylic acid is sourced from PubChem (CID 22341678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).