2-[[1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidin-3-yl]amino]acetic acid

C17H21ClN2O3 — CID 129008183

IUPAC2-[[1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidin-3-yl]amino]acetic acid
SMILESCC1(NCC(=O)O)CCN(C(=O)C2CC2c2cccc(Cl)c2)C1
InChIInChI=1S/C17H21ClN2O3/c1-17(19-9-15(21)22)5-6-20(10-17)16(23)14-8-13(14)11-3-2-4-12(18)7-11/h2-4,7,13-14,19H,5-6,8-10H2,1H3,(H,21,22)
InChIKeyRHUSKOCLRUNVTE-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.11
Rot. Bonds5

About 2-[[1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidin-3-yl]amino]acetic acid

2-[[1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidin-3-yl]amino]acetic acid (PubChem CID 129008183) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is 2-[[1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidin-3-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidin-3-yl]amino]acetic acid
PubChem CID129008183
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name2-[[1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidin-3-yl]amino]acetic acid
SMILESCC1(NCC(=O)O)CCN(C(=O)C2CC2c2cccc(Cl)c2)C1
InChIInChI=1S/C17H21ClN2O3/c1-17(19-9-15(21)22)5-6-20(10-17)16(23)14-8-13(14)11-3-2-4-12(18)7-11/h2-4,7,13-14,19H,5-6,8-10H2,1H3,(H,21,22)
InChIKeyRHUSKOCLRUNVTE-UHFFFAOYSA-N
XLogP2.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidin-3-yl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidin-3-yl]amino]acetic acid?
The IUPAC name of 2-[[1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidin-3-yl]amino]acetic acid (CID 129008183) is 2-[[1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidin-3-yl]amino]acetic acid.
What is the SMILES notation for 2-[[1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidin-3-yl]amino]acetic acid?
The canonical SMILES for 2-[[1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidin-3-yl]amino]acetic acid is CC1(NCC(=O)O)CCN(C(=O)C2CC2c2cccc(Cl)c2)C1.
What is the InChIKey of 2-[[1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidin-3-yl]amino]acetic acid?
The InChIKey is RHUSKOCLRUNVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c1-17(19-9-15(21)22)5-6-20(10-17)16(23)14-8-13(14)11-3-2-4-12(18)7-11/h2-4,7,13-14,19H,5-6,8-10H2,1H3,(H,21,22).
What are the key properties of 2-[[1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidin-3-yl]amino]acetic acid?
2-[[1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidin-3-yl]amino]acetic acid has a molecular weight of 336.82 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidin-3-yl]amino]acetic acid is sourced from PubChem (CID 129008183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).