[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate

C12H16N6O3 — CID 57179687

IUPAC[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate
SMILESNC(Cc1cnc[nH]1)C(=O)OC(=O)[C@@H](N)Cc1cnc[nH]1
InChIInChI=1S/C12H16N6O3/c13-9(1-7-3-15-5-17-7)11(19)21-12(20)10(14)2-8-4-16-6-18-8/h3-6,9-10H,1-2,13-14H2,(H,15,17)(H,16,18)/t9-,10?/m0/s1
InChIKeyQNSABRLGDUIEAB-RGURZIINSA-N
MW292.30 g/mol
LogP-1.36
Rot. Bonds6

About [(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate

[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate (PubChem CID 57179687) has the molecular formula C12H16N6O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is [(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate.

Molecular Properties

Compound Name[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate
PubChem CID57179687
Molecular FormulaC12H16N6O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC Name[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate
SMILESNC(Cc1cnc[nH]1)C(=O)OC(=O)[C@@H](N)Cc1cnc[nH]1
InChIInChI=1S/C12H16N6O3/c13-9(1-7-3-15-5-17-7)11(19)21-12(20)10(14)2-8-4-16-6-18-8/h3-6,9-10H,1-2,13-14H2,(H,15,17)(H,16,18)/t9-,10?/m0/s1
InChIKeyQNSABRLGDUIEAB-RGURZIINSA-N
XLogP-1.36
TPSA152.77 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze [(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate 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)-2-aminopropanoyl] (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57177492
[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2,4-diaminobutanoate
CID 88654135
chloro (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57466385
nitroso (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 87399631
(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
ethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;dihydrochloride
CID 25021753
2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium
CID 88748580
2-amino-3-(1H-imidazol-5-yl)propanoic acid;molybdenum
CID 174573236
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124498
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane
CID 173470688
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury
CID 174719517

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate?
The IUPAC name of [(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate (CID 57179687) is [(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate.
What is the SMILES notation for [(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate?
The canonical SMILES for [(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate is NC(Cc1cnc[nH]1)C(=O)OC(=O)[C@@H](N)Cc1cnc[nH]1.
What is the InChIKey of [(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate?
The InChIKey is QNSABRLGDUIEAB-RGURZIINSA-N. The full InChI is InChI=1S/C12H16N6O3/c13-9(1-7-3-15-5-17-7)11(19)21-12(20)10(14)2-8-4-16-6-18-8/h3-6,9-10H,1-2,13-14H2,(H,15,17)(H,16,18)/t9-,10?/m0/s1.
What are the key properties of [(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate?
[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate has a molecular weight of 292.30 g/mol, XLogP of -1.36, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate is sourced from PubChem (CID 57179687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).