(3S)-1-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid

C19H26N2O3 — CID 97155939

IUPAC(3S)-1-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid
SMILESO=C(CN1CCC[C@@](CC2CC2)(C(=O)O)C1)NCc1ccccc1
InChIInChI=1S/C19H26N2O3/c22-17(20-12-16-5-2-1-3-6-16)13-21-10-4-9-19(14-21,18(23)24)11-15-7-8-15/h1-3,5-6,15H,4,7-14H2,(H,20,22)(H,23,24)/t19-/m0/s1
InChIKeyLHCXBNCAUNOFPY-IBGZPJMESA-N
MW330.43 g/mol
LogP2.27
Rot. Bonds7

About (3S)-1-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid

(3S)-1-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid (PubChem CID 97155939) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3S)-1-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid
PubChem CID97155939
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(3S)-1-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid
SMILESO=C(CN1CCC[C@@](CC2CC2)(C(=O)O)C1)NCc1ccccc1
InChIInChI=1S/C19H26N2O3/c22-17(20-12-16-5-2-1-3-6-16)13-21-10-4-9-19(14-21,18(23)24)11-15-7-8-15/h1-3,5-6,15H,4,7-14H2,(H,20,22)(H,23,24)/t19-/m0/s1
InChIKeyLHCXBNCAUNOFPY-IBGZPJMESA-N
XLogP2.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylmethyl)piperidine-3-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

3-(cyclopropylmethyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 72884410
1-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-ethylpiperidine-3-carboxylic acid
CID 55165124
N-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267740
(3S)-3-(cyclopropylmethyl)-1-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid
CID 97150633
2-(3-aminoazetidin-1-yl)-N-benzylacetamide
CID 63760913
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide
CID 120772947
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide
CID 60510811
N-benzyl-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide
CID 137341250
ethyl (3S)-1-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 8532808
2-(4-benzoylpiperidin-1-yl)-N-benzylacetamide
CID 26037570
N-benzyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 112628516

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid (CID 97155939) is (3S)-1-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid is O=C(CN1CCC[C@@](CC2CC2)(C(=O)O)C1)NCc1ccccc1.
What is the InChIKey of (3S)-1-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid?
The InChIKey is LHCXBNCAUNOFPY-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26N2O3/c22-17(20-12-16-5-2-1-3-6-16)13-21-10-4-9-19(14-21,18(23)24)11-15-7-8-15/h1-3,5-6,15H,4,7-14H2,(H,20,22)(H,23,24)/t19-/m0/s1.
What are the key properties of (3S)-1-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid?
(3S)-1-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid has a molecular weight of 330.43 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 97155939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).