methyl (2S)-2-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-cyclopropylacetate

C16H19ClN2O3 — CID 125137384

IUPACmethyl (2S)-2-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-cyclopropylacetate
SMILESCOC(=O)[C@@H](N[C@H]1CCN(c2cccc(Cl)c2)C1=O)C1CC1
InChIInChI=1S/C16H19ClN2O3/c1-22-16(21)14(10-5-6-10)18-13-7-8-19(15(13)20)12-4-2-3-11(17)9-12/h2-4,9-10,13-14,18H,5-8H2,1H3/t13-,14-/m0/s1
InChIKeyLVFSSYVIVCAKSQ-KBPBESRZSA-N
MW322.79 g/mol
LogP1.99
Rot. Bonds5

About methyl (2S)-2-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-cyclopropylacetate

methyl (2S)-2-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-cyclopropylacetate (PubChem CID 125137384) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is methyl (2S)-2-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-cyclopropylacetate.

Molecular Properties

Compound Namemethyl (2S)-2-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-cyclopropylacetate
PubChem CID125137384
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Namemethyl (2S)-2-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-cyclopropylacetate
SMILESCOC(=O)[C@@H](N[C@H]1CCN(c2cccc(Cl)c2)C1=O)C1CC1
InChIInChI=1S/C16H19ClN2O3/c1-22-16(21)14(10-5-6-10)18-13-7-8-19(15(13)20)12-4-2-3-11(17)9-12/h2-4,9-10,13-14,18H,5-8H2,1H3/t13-,14-/m0/s1
InChIKeyLVFSSYVIVCAKSQ-KBPBESRZSA-N
XLogP1.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-cyclopropylacetate 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

(3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 94236892
3-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]butanamide
CID 119814144
methyl (2R)-2-cyclopropyl-2-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]acetate
CID 99777253
4-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]pentanamide;hydrochloride
CID 120563803
N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119814150
(2S)-2-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methylsulfanylbutanamide
CID 119341058
2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120551475
N-(2-amino-1-cyclopropylethyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 119615310
1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 4122939
1-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122005444
7-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119814105
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)anilino]pyrrolidin-2-one
CID 111824444

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-cyclopropylacetate?
The IUPAC name of methyl (2S)-2-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-cyclopropylacetate (CID 125137384) is methyl (2S)-2-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-cyclopropylacetate.
What is the SMILES notation for methyl (2S)-2-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-cyclopropylacetate?
The canonical SMILES for methyl (2S)-2-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-cyclopropylacetate is COC(=O)[C@@H](N[C@H]1CCN(c2cccc(Cl)c2)C1=O)C1CC1.
What is the InChIKey of methyl (2S)-2-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-cyclopropylacetate?
The InChIKey is LVFSSYVIVCAKSQ-KBPBESRZSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-22-16(21)14(10-5-6-10)18-13-7-8-19(15(13)20)12-4-2-3-11(17)9-12/h2-4,9-10,13-14,18H,5-8H2,1H3/t13-,14-/m0/s1.
What are the key properties of methyl (2S)-2-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-cyclopropylacetate?
methyl (2S)-2-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-cyclopropylacetate has a molecular weight of 322.79 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-cyclopropylacetate is sourced from PubChem (CID 125137384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).