5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid

C12H21N3O4 — CID 61188573

IUPAC5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESCC1CCN(C(=O)NC(CCC(N)=O)C(=O)O)CC1
InChIInChI=1S/C12H21N3O4/c1-8-4-6-15(7-5-8)12(19)14-9(11(17)18)2-3-10(13)16/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyROZBFMVXXNOTJP-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.15
Rot. Bonds5

About 5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid

5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 61188573) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
PubChem CID61188573
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESCC1CCN(C(=O)NC(CCC(N)=O)C(=O)O)CC1
InChIInChI=1S/C12H21N3O4/c1-8-4-6-15(7-5-8)12(19)14-9(11(17)18)2-3-10(13)16/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyROZBFMVXXNOTJP-UHFFFAOYSA-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 5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic 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)-5-amino-2-[(4-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61403013
(2S)-5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61197661
5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61197274
(2R)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 107830532
5-methoxy-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 82787410
(2S)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 61196853
(2S)-5-ethoxy-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107039349
5-amino-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 62931188
(2S)-5-amino-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 63979419
(2S)-5-amino-2-[(3-ethylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 113418287
(2R)-3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 80750387
3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61188214

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid (CID 61188573) is 5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid is CC1CCN(C(=O)NC(CCC(N)=O)C(=O)O)CC1.
What is the InChIKey of 5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is ROZBFMVXXNOTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-8-4-6-15(7-5-8)12(19)14-9(11(17)18)2-3-10(13)16/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18).
What are the key properties of 5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic 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 5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 61188573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).