4-[(3-benzylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

C19H26N2O3 — CID 122023397

IUPAC4-[(3-benzylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCC(Cc3ccccc3)C2)CC1
InChIInChI=1S/C19H26N2O3/c22-18(23)16-6-8-17(9-7-16)20-19(24)21-11-10-15(13-21)12-14-4-2-1-3-5-14/h1-5,15-17H,6-13H2,(H,20,24)(H,22,23)
InChIKeyKTDDZDSNLUVWEO-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.90
Rot. Bonds4

About 4-[(3-benzylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(3-benzylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 122023397) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[(3-benzylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-benzylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID122023397
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name4-[(3-benzylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCC(Cc3ccccc3)C2)CC1
InChIInChI=1S/C19H26N2O3/c22-18(23)16-6-8-17(9-7-16)20-19(24)21-11-10-15(13-21)12-14-4-2-1-3-5-14/h1-5,15-17H,6-13H2,(H,20,24)(H,22,23)
InChIKeyKTDDZDSNLUVWEO-UHFFFAOYSA-N
XLogP2.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-(phenoxymethyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023727
4-[[3-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023327
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334
(3S)-N-cyclopropyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
CID 96566331
(3S)-N-cyclopropyl-3-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 94384032
1-(3-benzylpyrrolidin-1-yl)-2-chloroethanone
CID 166404042
4-[(3-benzylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024428
3-benzyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrrolidine-1-carboxamide
CID 136543805
cis-(1R,2S)-2-[(3R)-3-benzylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125131885
4-[[3-(4-ethylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024709
4-[(4-benzyl-3,3-dimethylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024819
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003

Frequently Asked Questions

What is the IUPAC name of 4-[(3-benzylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-benzylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 122023397) is 4-[(3-benzylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-benzylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-benzylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)N2CCC(Cc3ccccc3)C2)CC1.
What is the InChIKey of 4-[(3-benzylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is KTDDZDSNLUVWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-18(23)16-6-8-17(9-7-16)20-19(24)21-11-10-15(13-21)12-14-4-2-1-3-5-14/h1-5,15-17H,6-13H2,(H,20,24)(H,22,23).
What are the key properties of 4-[(3-benzylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(3-benzylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 330.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-benzylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122023397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).