1-cyclopropyl-5-methyl-3-[phenylmethoxycarbonyl(propyl)amino]pyrrolidine-3-carboxylic acid

C20H28N2O4 — CID 104866740

IUPAC1-cyclopropyl-5-methyl-3-[phenylmethoxycarbonyl(propyl)amino]pyrrolidine-3-carboxylic acid
SMILESCCCN(C(=O)OCc1ccccc1)C1(C(=O)O)CC(C)N(C2CC2)C1
InChIInChI=1S/C20H28N2O4/c1-3-11-22(19(25)26-13-16-7-5-4-6-8-16)20(18(23)24)12-15(2)21(14-20)17-9-10-17/h4-8,15,17H,3,9-14H2,1-2H3,(H,23,24)
InChIKeyZYYWHBDOMSQVFX-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.12
Rot. Bonds7

About 1-cyclopropyl-5-methyl-3-[phenylmethoxycarbonyl(propyl)amino]pyrrolidine-3-carboxylic acid

1-cyclopropyl-5-methyl-3-[phenylmethoxycarbonyl(propyl)amino]pyrrolidine-3-carboxylic acid (PubChem CID 104866740) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-cyclopropyl-5-methyl-3-[phenylmethoxycarbonyl(propyl)amino]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-5-methyl-3-[phenylmethoxycarbonyl(propyl)amino]pyrrolidine-3-carboxylic acid
PubChem CID104866740
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name1-cyclopropyl-5-methyl-3-[phenylmethoxycarbonyl(propyl)amino]pyrrolidine-3-carboxylic acid
SMILESCCCN(C(=O)OCc1ccccc1)C1(C(=O)O)CC(C)N(C2CC2)C1
InChIInChI=1S/C20H28N2O4/c1-3-11-22(19(25)26-13-16-7-5-4-6-8-16)20(18(23)24)12-15(2)21(14-20)17-9-10-17/h4-8,15,17H,3,9-14H2,1-2H3,(H,23,24)
InChIKeyZYYWHBDOMSQVFX-UHFFFAOYSA-N
XLogP3.12
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropyl(phenylmethoxycarbonyl)amino]-1,5-dimethylpyrrolidine-3-carboxylic acid
CID 103805325
2,4,4-trimethyl-1-[phenylmethoxycarbonyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 103777958
benzyl N-cyclopropyl-N-propylcarbamate
CID 130159300
benzyl N-ethyl-N-propylcarbamate
CID 126656974
1-[cyclopropyl(phenylmethoxycarbonyl)amino]-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 103563637
3-ethoxy-1-[methyl(phenylmethoxycarbonyl)amino]cyclobutane-1-carboxylic acid
CID 106822762
benzyl N-(4-methylcyclohexyl)-N-phenylcarbamate
CID 71093991
benzyl N-(2-phenylethyl)-N-propylcarbamate
CID 141214561
3-[cyclopropyl(phenylmethoxycarbonyl)amino]-5,5-dimethylthiane-3-carboxylic acid
CID 103739811
3-[ethyl(phenylmethoxycarbonyl)amino]-2-methylthiane-3-carboxylic acid
CID 103739723
benzyl N-[methyl(propyl)amino]carbamate
CID 138546931
benzyl N,N-dimethylcarbamate
CID 12963450

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-methyl-3-[phenylmethoxycarbonyl(propyl)amino]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-5-methyl-3-[phenylmethoxycarbonyl(propyl)amino]pyrrolidine-3-carboxylic acid (CID 104866740) is 1-cyclopropyl-5-methyl-3-[phenylmethoxycarbonyl(propyl)amino]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-5-methyl-3-[phenylmethoxycarbonyl(propyl)amino]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-5-methyl-3-[phenylmethoxycarbonyl(propyl)amino]pyrrolidine-3-carboxylic acid is CCCN(C(=O)OCc1ccccc1)C1(C(=O)O)CC(C)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-5-methyl-3-[phenylmethoxycarbonyl(propyl)amino]pyrrolidine-3-carboxylic acid?
The InChIKey is ZYYWHBDOMSQVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-3-11-22(19(25)26-13-16-7-5-4-6-8-16)20(18(23)24)12-15(2)21(14-20)17-9-10-17/h4-8,15,17H,3,9-14H2,1-2H3,(H,23,24).
What are the key properties of 1-cyclopropyl-5-methyl-3-[phenylmethoxycarbonyl(propyl)amino]pyrrolidine-3-carboxylic acid?
1-cyclopropyl-5-methyl-3-[phenylmethoxycarbonyl(propyl)amino]pyrrolidine-3-carboxylic acid has a molecular weight of 360.45 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-methyl-3-[phenylmethoxycarbonyl(propyl)amino]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 104866740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).