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

C12H21N3O4 — CID 107566036

IUPAC(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N1CCCC(C(N)=O)C1)C(=O)O
InChIInChI=1S/C12H21N3O4/c1-2-4-9(11(17)18)14-12(19)15-6-3-5-8(7-15)10(13)16/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18)/t8?,9-/m1/s1
InChIKeyZCWFSNMPTVCRTB-YGPZHTELSA-N
MW271.32 g/mol
LogP0.15
Rot. Bonds5

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

(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid (PubChem CID 107566036) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
PubChem CID107566036
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N1CCCC(C(N)=O)C1)C(=O)O
InChIInChI=1S/C12H21N3O4/c1-2-4-9(11(17)18)14-12(19)15-6-3-5-8(7-15)10(13)16/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18)/t8?,9-/m1/s1
InChIKeyZCWFSNMPTVCRTB-YGPZHTELSA-N
XLogP0.15
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]pentanoic 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-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107825829
(2S)-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107567387
(2S)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61185431
(2S)-2-[(4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107566997
(2R)-2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566950
(2R)-2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566773
2-[(3-carbamoylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 114082317
(2R)-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566360
(2S)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567840
(2S)-5-amino-2-[(3-ethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61200860
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 43630634
(2R)-2-[(3-propylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567557

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid (CID 107566036) is (2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid is CCC[C@@H](NC(=O)N1CCCC(C(N)=O)C1)C(=O)O.
What is the InChIKey of (2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid?
The InChIKey is ZCWFSNMPTVCRTB-YGPZHTELSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-2-4-9(11(17)18)14-12(19)15-6-3-5-8(7-15)10(13)16/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid?
(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107566036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).