(3S)-3-[[(2R)-3-(3-chlorophenyl)-2-methylpropanoyl]amino]pyrrolidine-1-carboxamide

C15H20ClN3O2 — CID 97243727

IUPAC(3S)-3-[[(2R)-3-(3-chlorophenyl)-2-methylpropanoyl]amino]pyrrolidine-1-carboxamide
SMILESC[C@H](Cc1cccc(Cl)c1)C(=O)N[C@H]1CCN(C(N)=O)C1
InChIInChI=1S/C15H20ClN3O2/c1-10(7-11-3-2-4-12(16)8-11)14(20)18-13-5-6-19(9-13)15(17)21/h2-4,8,10,13H,5-7,9H2,1H3,(H2,17,21)(H,18,20)/t10-,13+/m1/s1
InChIKeySXBYETLDKGCRFE-MFKMUULPSA-N
MW309.80 g/mol
LogP1.79
Rot. Bonds4

About (3S)-3-[[(2R)-3-(3-chlorophenyl)-2-methylpropanoyl]amino]pyrrolidine-1-carboxamide

(3S)-3-[[(2R)-3-(3-chlorophenyl)-2-methylpropanoyl]amino]pyrrolidine-1-carboxamide (PubChem CID 97243727) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is (3S)-3-[[(2R)-3-(3-chlorophenyl)-2-methylpropanoyl]amino]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[[(2R)-3-(3-chlorophenyl)-2-methylpropanoyl]amino]pyrrolidine-1-carboxamide
PubChem CID97243727
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name(3S)-3-[[(2R)-3-(3-chlorophenyl)-2-methylpropanoyl]amino]pyrrolidine-1-carboxamide
SMILESC[C@H](Cc1cccc(Cl)c1)C(=O)N[C@H]1CCN(C(N)=O)C1
InChIInChI=1S/C15H20ClN3O2/c1-10(7-11-3-2-4-12(16)8-11)14(20)18-13-5-6-19(9-13)15(17)21/h2-4,8,10,13H,5-7,9H2,1H3,(H2,17,21)(H,18,20)/t10-,13+/m1/s1
InChIKeySXBYETLDKGCRFE-MFKMUULPSA-N
XLogP1.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[[(3R)-4-(4-chlorophenyl)-3-methylbutanoyl]amino]pyrrolidine-1-carboxamide
CID 97057305
4-[[2-(3-chlorophenyl)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822388
N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119899530
3-(3-fluorophenyl)-2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 48862621
N-[(3S)-1-carbamoylpyrrolidin-3-yl]-1-[(2R)-1-phenylpropan-2-yl]pyrrole-2-carboxamide
CID 97333048
benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
CID 130774692
3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 120515175
(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-3-(3-chlorophenyl)propan-1-one;hydrochloride
CID 168922748
(3R)-3-[[2-[(2-chlorophenyl)methyl-ethylamino]acetyl]amino]pyrrolidine-1-carboxamide
CID 100755826
3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylic acid
CID 141133176
(2S)-2-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-4-methylpentanamide;dihydrochloride
CID 119899554
(2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine
CID 167711983

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(2R)-3-(3-chlorophenyl)-2-methylpropanoyl]amino]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-[[(2R)-3-(3-chlorophenyl)-2-methylpropanoyl]amino]pyrrolidine-1-carboxamide (CID 97243727) is (3S)-3-[[(2R)-3-(3-chlorophenyl)-2-methylpropanoyl]amino]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[[(2R)-3-(3-chlorophenyl)-2-methylpropanoyl]amino]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-[[(2R)-3-(3-chlorophenyl)-2-methylpropanoyl]amino]pyrrolidine-1-carboxamide is C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@H]1CCN(C(N)=O)C1.
What is the InChIKey of (3S)-3-[[(2R)-3-(3-chlorophenyl)-2-methylpropanoyl]amino]pyrrolidine-1-carboxamide?
The InChIKey is SXBYETLDKGCRFE-MFKMUULPSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-10(7-11-3-2-4-12(16)8-11)14(20)18-13-5-6-19(9-13)15(17)21/h2-4,8,10,13H,5-7,9H2,1H3,(H2,17,21)(H,18,20)/t10-,13+/m1/s1.
What are the key properties of (3S)-3-[[(2R)-3-(3-chlorophenyl)-2-methylpropanoyl]amino]pyrrolidine-1-carboxamide?
(3S)-3-[[(2R)-3-(3-chlorophenyl)-2-methylpropanoyl]amino]pyrrolidine-1-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(2R)-3-(3-chlorophenyl)-2-methylpropanoyl]amino]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97243727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).