(3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide

C11H13ClN2O3 — CID 79411419

IUPAC(3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C11H13ClN2O3/c12-7-1-3-8(4-2-7)13-11(17)14-5-9(15)10(16)6-14/h1-4,9-10,15-16H,5-6H2,(H,13,17)/t9-,10+
InChIKeyJKWRHJQZDMBKEP-AOOOYVTPSA-N
MW256.69 g/mol
LogP0.91
Rot. Bonds1

About (3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide

(3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide (PubChem CID 79411419) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is (3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
PubChem CID79411419
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name(3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C11H13ClN2O3/c12-7-1-3-8(4-2-7)13-11(17)14-5-9(15)10(16)6-14/h1-4,9-10,15-16H,5-6H2,(H,13,17)/t9-,10+
InChIKeyJKWRHJQZDMBKEP-AOOOYVTPSA-N
XLogP0.91
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide
CID 4052686
N-[4-(aminomethyl)phenyl]-3,4-dihydroxypyrrolidine-1-carboxamide
CID 106670528
2-chloro-5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid
CID 106670753
(3R)-3-amino-N-(4-chlorophenyl)pyrrolidine-1-carboxamide;hydrochloride
CID 165430484
N-(4-chlorophenyl)-3-piperazin-1-ylazetidine-1-carboxamide
CID 66196929
N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
CID 23140487
1-[(4-chlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43185753
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
N-(4-chlorophenyl)-4-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 165430478
N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide
CID 110446851
N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid
CID 143206932
N-(4-chlorophenyl)-1,3-oxazolidine-3-carboxamide
CID 110749558

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide?
The IUPAC name of (3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide (CID 79411419) is (3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide?
The canonical SMILES for (3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide?
The InChIKey is JKWRHJQZDMBKEP-AOOOYVTPSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c12-7-1-3-8(4-2-7)13-11(17)14-5-9(15)10(16)6-14/h1-4,9-10,15-16H,5-6H2,(H,13,17)/t9-,10+.
What are the key properties of (3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide?
(3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide has a molecular weight of 256.69 g/mol, XLogP of 0.91, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 79411419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).