3-[cyclopropyl(phenylmethoxycarbonyl)amino]-1,5-dimethylpyrrolidine-3-carboxylic acid

C18H24N2O4 — CID 103805325

IUPAC3-[cyclopropyl(phenylmethoxycarbonyl)amino]-1,5-dimethylpyrrolidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)(N(C(=O)OCc2ccccc2)C2CC2)CN1C
InChIInChI=1S/C18H24N2O4/c1-13-10-18(16(21)22,12-19(13)2)20(15-8-9-15)17(23)24-11-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,21,22)
InChIKeyOSXXKEIBSCLZLE-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.34
Rot. Bonds5

About 3-[cyclopropyl(phenylmethoxycarbonyl)amino]-1,5-dimethylpyrrolidine-3-carboxylic acid

3-[cyclopropyl(phenylmethoxycarbonyl)amino]-1,5-dimethylpyrrolidine-3-carboxylic acid (PubChem CID 103805325) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-[cyclopropyl(phenylmethoxycarbonyl)amino]-1,5-dimethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopropyl(phenylmethoxycarbonyl)amino]-1,5-dimethylpyrrolidine-3-carboxylic acid
PubChem CID103805325
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name3-[cyclopropyl(phenylmethoxycarbonyl)amino]-1,5-dimethylpyrrolidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)(N(C(=O)OCc2ccccc2)C2CC2)CN1C
InChIInChI=1S/C18H24N2O4/c1-13-10-18(16(21)22,12-19(13)2)20(15-8-9-15)17(23)24-11-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,21,22)
InChIKeyOSXXKEIBSCLZLE-UHFFFAOYSA-N
XLogP2.34
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[cyclopropyl(phenylmethoxycarbonyl)amino]-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 103563637
3-[cyclopropyl(phenylmethoxycarbonyl)amino]-5,5-dimethylthiane-3-carboxylic acid
CID 103739811
1-cyclopropyl-5-methyl-3-[phenylmethoxycarbonyl(propyl)amino]pyrrolidine-3-carboxylic acid
CID 104866740
benzyl N-cyclopropyl-N-propylcarbamate
CID 130159300
benzyl N-(4-methylcyclohexyl)-N-phenylcarbamate
CID 71093991
benzyl N-cyclopropyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66566520
benzyl N-(2-methylcyclopropyl)-N-(1-methylpiperidin-4-yl)carbamate
CID 142021413
benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
3-ethoxy-1-[methyl(phenylmethoxycarbonyl)amino]cyclobutane-1-carboxylic acid
CID 106822762
benzyl N-[(1R,3R,4S)-3,4-dihydroxycyclohexyl]-N-methylcarbamate
CID 67475983
benzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate
CID 155061465
benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]-N-cyclopropylcarbamate
CID 77144080

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(phenylmethoxycarbonyl)amino]-1,5-dimethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 3-[cyclopropyl(phenylmethoxycarbonyl)amino]-1,5-dimethylpyrrolidine-3-carboxylic acid (CID 103805325) is 3-[cyclopropyl(phenylmethoxycarbonyl)amino]-1,5-dimethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-[cyclopropyl(phenylmethoxycarbonyl)amino]-1,5-dimethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-[cyclopropyl(phenylmethoxycarbonyl)amino]-1,5-dimethylpyrrolidine-3-carboxylic acid is CC1CC(C(=O)O)(N(C(=O)OCc2ccccc2)C2CC2)CN1C.
What is the InChIKey of 3-[cyclopropyl(phenylmethoxycarbonyl)amino]-1,5-dimethylpyrrolidine-3-carboxylic acid?
The InChIKey is OSXXKEIBSCLZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-13-10-18(16(21)22,12-19(13)2)20(15-8-9-15)17(23)24-11-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,21,22).
What are the key properties of 3-[cyclopropyl(phenylmethoxycarbonyl)amino]-1,5-dimethylpyrrolidine-3-carboxylic acid?
3-[cyclopropyl(phenylmethoxycarbonyl)amino]-1,5-dimethylpyrrolidine-3-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(phenylmethoxycarbonyl)amino]-1,5-dimethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 103805325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).