3-[methyl-[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid

C11H18N2O4 — CID 125150139

IUPAC3-[methyl-[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid
SMILESCN1CC[C@@H](C(=O)N(C)CCC(=O)O)CC1=O
InChIInChI=1S/C11H18N2O4/c1-12-5-3-8(7-9(12)14)11(17)13(2)6-4-10(15)16/h8H,3-7H2,1-2H3,(H,15,16)/t8-/m1/s1
InChIKeyBYDHYUTZGQFBKE-MRVPVSSYSA-N
MW242.27 g/mol
LogP-0.21
Rot. Bonds4

About 3-[methyl-[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid

3-[methyl-[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid (PubChem CID 125150139) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-[methyl-[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid
PubChem CID125150139
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name3-[methyl-[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid
SMILESCN1CC[C@@H](C(=O)N(C)CCC(=O)O)CC1=O
InChIInChI=1S/C11H18N2O4/c1-12-5-3-8(7-9(12)14)11(17)13(2)6-4-10(15)16/h8H,3-7H2,1-2H3,(H,15,16)/t8-/m1/s1
InChIKeyBYDHYUTZGQFBKE-MRVPVSSYSA-N
XLogP-0.21
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[methyl-[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic 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

(4S)-N,1-dimethyl-2-oxo-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 94168581
(4S)-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 94471887
2-[cyclopropyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid
CID 119194812
2-[2-methoxyethyl-[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]acetic acid
CID 125118927
3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 60989328
3-[methyl-(1-methylpiperidine-3-carbonyl)amino]propanoic acid
CID 110837310
1-methyl-2-oxo-N-piperidin-4-yl-N-propylpiperidine-4-carboxamide;hydrochloride
CID 119825327
3-[(3-fluorocyclohexanecarbonyl)-methylamino]propanoic acid
CID 122126118
2-[(4-chlorophenyl)methyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid
CID 119193545
4-[(1-methyl-2-oxopiperidine-4-carbonyl)amino]-4-phenylbutanoic acid
CID 119201075
3-[(3-aminocyclohexanecarbonyl)-methylamino]propanoic acid
CID 63046966
(4R)-N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethyl-2-oxopiperidine-4-carboxamide
CID 94037007

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid (CID 125150139) is 3-[methyl-[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid is CN1CC[C@@H](C(=O)N(C)CCC(=O)O)CC1=O.
What is the InChIKey of 3-[methyl-[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid?
The InChIKey is BYDHYUTZGQFBKE-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-12-5-3-8(7-9(12)14)11(17)13(2)6-4-10(15)16/h8H,3-7H2,1-2H3,(H,15,16)/t8-/m1/s1.
What are the key properties of 3-[methyl-[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid?
3-[methyl-[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid has a molecular weight of 242.27 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 125150139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).