2-[(1-carbamoylpiperidine-3-carbonyl)amino]-3-methoxypropanoic acid

C11H19N3O5 — CID 81077471

IUPAC2-[(1-carbamoylpiperidine-3-carbonyl)amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)C1CCCN(C(N)=O)C1)C(=O)O
InChIInChI=1S/C11H19N3O5/c1-19-6-8(10(16)17)13-9(15)7-3-2-4-14(5-7)11(12)18/h7-8H,2-6H2,1H3,(H2,12,18)(H,13,15)(H,16,17)
InChIKeyLOQNMYCKRHHJHC-UHFFFAOYSA-N
MW273.29 g/mol
LogP-1.01
Rot. Bonds5

About 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-3-methoxypropanoic acid

2-[(1-carbamoylpiperidine-3-carbonyl)amino]-3-methoxypropanoic acid (PubChem CID 81077471) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(1-carbamoylpiperidine-3-carbonyl)amino]-3-methoxypropanoic acid
PubChem CID81077471
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name2-[(1-carbamoylpiperidine-3-carbonyl)amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)C1CCCN(C(N)=O)C1)C(=O)O
InChIInChI=1S/C11H19N3O5/c1-19-6-8(10(16)17)13-9(15)7-3-2-4-14(5-7)11(12)18/h7-8H,2-6H2,1H3,(H2,12,18)(H,13,15)(H,16,17)
InChIKeyLOQNMYCKRHHJHC-UHFFFAOYSA-N
XLogP-1.01
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-3-methoxypropanoic 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

(2R)-2-[(1-carbamoylpiperidine-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 114005009
2-(cycloheptanecarbonylamino)-3-methoxypropanoic acid
CID 81077203
(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 125149297
2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]amino]-4-methoxybutanoic acid
CID 120703197
(2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 80748785
2-(azepane-1-carbonylamino)-3-methoxypropanoic acid
CID 81077084
ethyl 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate
CID 61344950
2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid
CID 81077074
2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid
CID 55091388
1-(2-amino-3-methoxypropanoyl)piperidine-3-carboxamide
CID 81081318
(2R)-4-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119364788
4-methoxy-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid
CID 120703250

Frequently Asked Questions

What is the IUPAC name of 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-3-methoxypropanoic acid (CID 81077471) is 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-3-methoxypropanoic acid is COCC(NC(=O)C1CCCN(C(N)=O)C1)C(=O)O.
What is the InChIKey of 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-3-methoxypropanoic acid?
The InChIKey is LOQNMYCKRHHJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-19-6-8(10(16)17)13-9(15)7-3-2-4-14(5-7)11(12)18/h7-8H,2-6H2,1H3,(H2,12,18)(H,13,15)(H,16,17).
What are the key properties of 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-3-methoxypropanoic acid?
2-[(1-carbamoylpiperidine-3-carbonyl)amino]-3-methoxypropanoic acid has a molecular weight of 273.29 g/mol, XLogP of -1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-3-methoxypropanoic acid is sourced from PubChem (CID 81077471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).