(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide

C12H15ClN2O3 — CID 111430962

IUPAC(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C12H15ClN2O3/c1-18-11-3-2-8(13)6-10(11)14-12(17)15-5-4-9(16)7-15/h2-3,6,9,16H,4-5,7H2,1H3,(H,14,17)/t9-/m1/s1
InChIKeyIOIRKGDMYHMIEV-SECBINFHSA-N
MW270.72 g/mol
LogP1.95
Rot. Bonds2

About (3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide

(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 111430962) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is (3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
PubChem CID111430962
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C12H15ClN2O3/c1-18-11-3-2-8(13)6-10(11)14-12(17)15-5-4-9(16)7-15/h2-3,6,9,16H,4-5,7H2,1H3,(H,14,17)/t9-/m1/s1
InChIKeyIOIRKGDMYHMIEV-SECBINFHSA-N
XLogP1.95
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide
CID 121091740
methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 108875630
3-(5-chloro-2-methoxyanilino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111561086
(3S)-1-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121106
(3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide
CID 111431556
(2S,4S)-N-(5-chloro-2-methoxyphenyl)-2-ethyl-4-hydroxypiperidine-1-carboxamide
CID 137334290
N-(5-chloro-2-methoxyphenyl)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637156
(3R)-N-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide
CID 25302330
2-(5-chloro-2-methoxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 79029346
N-(5-chloro-2-methoxyphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111620
(3R)-3-hydroxy-N-(4-methoxy-3-methylphenyl)pyrrolidine-1-carboxamide
CID 111431474
N-(5-chloro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 71781145

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide (CID 111430962) is (3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide is COc1ccc(Cl)cc1NC(=O)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is IOIRKGDMYHMIEV-SECBINFHSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-18-11-3-2-8(13)6-10(11)14-12(17)15-5-4-9(16)7-15/h2-3,6,9,16H,4-5,7H2,1H3,(H,14,17)/t9-/m1/s1.
What are the key properties of (3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide?
(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 270.72 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 111430962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).