2-amino-3-[(4-imidazol-1-ylpiperidine-1-carbonyl)amino]propanoic acid

C12H19N5O3 — CID 67154491

IUPAC2-amino-3-[(4-imidazol-1-ylpiperidine-1-carbonyl)amino]propanoic acid
SMILESNC(CNC(=O)N1CCC(n2ccnc2)CC1)C(=O)O
InChIInChI=1S/C12H19N5O3/c13-10(11(18)19)7-15-12(20)16-4-1-9(2-5-16)17-6-3-14-8-17/h3,6,8-10H,1-2,4-5,7,13H2,(H,15,20)(H,18,19)
InChIKeyGSVHWPLCVUFFAB-UHFFFAOYSA-N
MW281.32 g/mol
LogP-0.36
Rot. Bonds4

About 2-amino-3-[(4-imidazol-1-ylpiperidine-1-carbonyl)amino]propanoic acid

2-amino-3-[(4-imidazol-1-ylpiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 67154491) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-amino-3-[(4-imidazol-1-ylpiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(4-imidazol-1-ylpiperidine-1-carbonyl)amino]propanoic acid
PubChem CID67154491
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name2-amino-3-[(4-imidazol-1-ylpiperidine-1-carbonyl)amino]propanoic acid
SMILESNC(CNC(=O)N1CCC(n2ccnc2)CC1)C(=O)O
InChIInChI=1S/C12H19N5O3/c13-10(11(18)19)7-15-12(20)16-4-1-9(2-5-16)17-6-3-14-8-17/h3,6,8-10H,1-2,4-5,7,13H2,(H,15,20)(H,18,19)
InChIKeyGSVHWPLCVUFFAB-UHFFFAOYSA-N
XLogP-0.36
TPSA113.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(4-imidazol-1-ylpiperidin-1-yl)-4-oxobutanoic acid
CID 70945433
N-(4-hydroxy-2,2-dimethylpentyl)-4-imidazol-1-ylpiperidine-1-carboxamide
CID 111507302
2-amino-4-[(4-imidazol-1-ylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 67154426
N-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 96999492
4-imidazol-1-yl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 71917763
N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide
CID 126429651
4-imidazol-1-yl-N-[(1S,2S)-2-methoxycyclohexyl]piperidine-1-carboxamide
CID 96999533
4-imidazol-1-yl-N-[(1R,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide
CID 96999534
(1-aminocyclohexyl)-(4-imidazol-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119868735
2-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)propanoic acid
CID 67154587
4-imidazol-1-yl-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide
CID 97021838
N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 97219565

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(4-imidazol-1-ylpiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2-amino-3-[(4-imidazol-1-ylpiperidine-1-carbonyl)amino]propanoic acid (CID 67154491) is 2-amino-3-[(4-imidazol-1-ylpiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-amino-3-[(4-imidazol-1-ylpiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-amino-3-[(4-imidazol-1-ylpiperidine-1-carbonyl)amino]propanoic acid is NC(CNC(=O)N1CCC(n2ccnc2)CC1)C(=O)O.
What is the InChIKey of 2-amino-3-[(4-imidazol-1-ylpiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is GSVHWPLCVUFFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c13-10(11(18)19)7-15-12(20)16-4-1-9(2-5-16)17-6-3-14-8-17/h3,6,8-10H,1-2,4-5,7,13H2,(H,15,20)(H,18,19).
What are the key properties of 2-amino-3-[(4-imidazol-1-ylpiperidine-1-carbonyl)amino]propanoic acid?
2-amino-3-[(4-imidazol-1-ylpiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 281.32 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(4-imidazol-1-ylpiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 67154491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).