(2R)-1-(4-acetyl-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid

C14H18N2O4 — CID 79034397

IUPAC(2R)-1-(4-acetyl-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
SMILESCC(=O)c1cc(C(=O)N2CCCC[C@@H]2C(=O)O)n(C)c1
InChIInChI=1S/C14H18N2O4/c1-9(17)10-7-12(15(2)8-10)13(18)16-6-4-3-5-11(16)14(19)20/h7-8,11H,3-6H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyWVZSRTSZPAHFFU-LLVKDONJSA-N
MW278.31 g/mol
LogP1.31
Rot. Bonds3

About (2R)-1-(4-acetyl-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid

(2R)-1-(4-acetyl-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 79034397) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2R)-1-(4-acetyl-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4-acetyl-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID79034397
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(2R)-1-(4-acetyl-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
SMILESCC(=O)c1cc(C(=O)N2CCCC[C@@H]2C(=O)O)n(C)c1
InChIInChI=1S/C14H18N2O4/c1-9(17)10-7-12(15(2)8-10)13(18)16-6-4-3-5-11(16)14(19)20/h7-8,11H,3-6H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyWVZSRTSZPAHFFU-LLVKDONJSA-N
XLogP1.31
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(4-acetyl-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic 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)-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 28741403
1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 43356010
1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 43356068
1-(1,3-diethylpyrazole-5-carbonyl)piperidine-2-carboxylic acid
CID 66122346
(2S)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 66264683
(2R)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 79034455
1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)azepane-2-carboxylic acid
CID 64558595
5-[(2S)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-methylpyrrole-3-carboxamide
CID 124569599
1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 43211084
1-(4-amino-1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide
CID 43643152
(2R)-1-[4-[(2R)-2-acetylpyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 59403363
4-(cyclooctanecarbonyl)-1-methylpyrrole-2-carboxylic acid
CID 65018296

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-acetyl-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(4-acetyl-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid (CID 79034397) is (2R)-1-(4-acetyl-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(4-acetyl-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(4-acetyl-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid is CC(=O)c1cc(C(=O)N2CCCC[C@@H]2C(=O)O)n(C)c1.
What is the InChIKey of (2R)-1-(4-acetyl-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is WVZSRTSZPAHFFU-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9(17)10-7-12(15(2)8-10)13(18)16-6-4-3-5-11(16)14(19)20/h7-8,11H,3-6H2,1-2H3,(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-1-(4-acetyl-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid?
(2R)-1-(4-acetyl-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-acetyl-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 79034397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).