N-[(1R)-1-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide

C13H17ClN2O2 — CID 81378542

IUPACN-[(1R)-1-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESC[C@@H](NC(=O)C1CC(O)CN1)c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-8(10-4-2-3-5-11(10)14)16-13(18)12-6-9(17)7-15-12/h2-5,8-9,12,15,17H,6-7H2,1H3,(H,16,18)/t8-,9?,12?/m1/s1
InChIKeyFZYNASRPVASPJV-YDNLMGDJSA-N
MW268.74 g/mol
LogP1.24
Rot. Bonds3

About N-[(1R)-1-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide

N-[(1R)-1-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 81378542) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID81378542
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-[(1R)-1-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESC[C@@H](NC(=O)C1CC(O)CN1)c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-8(10-4-2-3-5-11(10)14)16-13(18)12-6-9(17)7-15-12/h2-5,8-9,12,15,17H,6-7H2,1H3,(H,16,18)/t8-,9?,12?/m1/s1
InChIKeyFZYNASRPVASPJV-YDNLMGDJSA-N
XLogP1.24
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81380061
(2R)-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794027
(2R,4S)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 93266684
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119832268
N-[(1S)-1-(2-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 81378547
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43712314
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43705073
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119852095
4-hydroxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 43703463
(2S)-N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81375531
N-[1-(4-ethynylphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 170438638
(2R,4R)-N-[(2R)-2-(2-chlorophenoxy)propyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125134999

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide (CID 81378542) is N-[(1R)-1-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide is C[C@@H](NC(=O)C1CC(O)CN1)c1ccccc1Cl.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is FZYNASRPVASPJV-YDNLMGDJSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-8(10-4-2-3-5-11(10)14)16-13(18)12-6-9(17)7-15-12/h2-5,8-9,12,15,17H,6-7H2,1H3,(H,16,18)/t8-,9?,12?/m1/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 81378542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).