1-[benzyl(propan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid

C16H22N2O3 — CID 61186053

IUPAC1-[benzyl(propan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)N(Cc1ccccc1)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-12(2)18(11-13-7-4-3-5-8-13)16(21)17-10-6-9-14(17)15(19)20/h3-5,7-8,12,14H,6,9-11H2,1-2H3,(H,19,20)
InChIKeyYMPFLWWSFLGVOT-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.57
Rot. Bonds4

About 1-[benzyl(propan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid

1-[benzyl(propan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61186053) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[benzyl(propan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[benzyl(propan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61186053
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[benzyl(propan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)N(Cc1ccccc1)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-12(2)18(11-13-7-4-3-5-8-13)16(21)17-10-6-9-14(17)15(19)20/h3-5,7-8,12,14H,6,9-11H2,1-2H3,(H,19,20)
InChIKeyYMPFLWWSFLGVOT-UHFFFAOYSA-N
XLogP2.57
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[benzyl(propan-2-yl)carbamoyl]pyrrolidine-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

1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid
CID 61186390
1-[benzyl(ethyl)carbamoyl]piperidine-2-carboxylic acid
CID 61185364
tert-butyl (2S)-2-[benzyl(propan-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 110677872
(2R)-1-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922543
1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186495
1-[2-[benzyl-[benzyl-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]carbamoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 22717230
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10060528
propan-2-yl (2S)-1-[(2R)-2-(dibenzylamino)-2-phenylacetyl]pyrrolidine-2-carboxylate
CID 57387242
1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63010608
1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61413418
(2R)-1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922881
(2S)-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10039116

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(propan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[benzyl(propan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 61186053) is 1-[benzyl(propan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[benzyl(propan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[benzyl(propan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid is CC(C)N(Cc1ccccc1)C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[benzyl(propan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is YMPFLWWSFLGVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(2)18(11-13-7-4-3-5-8-13)16(21)17-10-6-9-14(17)15(19)20/h3-5,7-8,12,14H,6,9-11H2,1-2H3,(H,19,20).
What are the key properties of 1-[benzyl(propan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
1-[benzyl(propan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(propan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61186053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).