(2R,4R)-N-[(2R)-2-(2-chlorophenoxy)propyl]-4-hydroxypyrrolidine-2-carboxamide

C14H19ClN2O3 — CID 125134999

IUPAC(2R,4R)-N-[(2R)-2-(2-chlorophenoxy)propyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESC[C@H](CNC(=O)[C@H]1C[C@@H](O)CN1)Oc1ccccc1Cl
InChIInChI=1S/C14H19ClN2O3/c1-9(20-13-5-3-2-4-11(13)15)7-17-14(19)12-6-10(18)8-16-12/h2-5,9-10,12,16,18H,6-8H2,1H3,(H,17,19)/t9-,10-,12-/m1/s1
InChIKeyAFSZLTVWMMTXOQ-CKYFFXLPSA-N
MW298.77 g/mol
LogP0.95
Rot. Bonds5

About (2R,4R)-N-[(2R)-2-(2-chlorophenoxy)propyl]-4-hydroxypyrrolidine-2-carboxamide

(2R,4R)-N-[(2R)-2-(2-chlorophenoxy)propyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 125134999) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is (2R,4R)-N-[(2R)-2-(2-chlorophenoxy)propyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-[(2R)-2-(2-chlorophenoxy)propyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID125134999
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name(2R,4R)-N-[(2R)-2-(2-chlorophenoxy)propyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESC[C@H](CNC(=O)[C@H]1C[C@@H](O)CN1)Oc1ccccc1Cl
InChIInChI=1S/C14H19ClN2O3/c1-9(20-13-5-3-2-4-11(13)15)7-17-14(19)12-6-10(18)8-16-12/h2-5,9-10,12,16,18H,6-8H2,1H3,(H,17,19)/t9-,10-,12-/m1/s1
InChIKeyAFSZLTVWMMTXOQ-CKYFFXLPSA-N
XLogP0.95
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-[2-(2-methylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 119804985
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119832268
3-amino-N-[2-(2-chlorophenoxy)propyl]cyclopentane-1-carboxamide
CID 119725465
N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119800227
(2S,4S)-N-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28944036
(2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125150269
(2R,4S)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125138942
4-hydroxy-N-(2-methoxy-2-phenylethyl)pyrrolidine-2-carboxamide
CID 119703911
(2S,4R)-4-hydroxy-N-[(2S)-2-methoxy-2-phenylethyl]pyrrolidine-2-carboxamide
CID 125135014
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 81378542
(2S,4R)-N-[2-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125153528
4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 43120719

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-[(2R)-2-(2-chlorophenoxy)propyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-N-[(2R)-2-(2-chlorophenoxy)propyl]-4-hydroxypyrrolidine-2-carboxamide (CID 125134999) is (2R,4R)-N-[(2R)-2-(2-chlorophenoxy)propyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-N-[(2R)-2-(2-chlorophenoxy)propyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-N-[(2R)-2-(2-chlorophenoxy)propyl]-4-hydroxypyrrolidine-2-carboxamide is C[C@H](CNC(=O)[C@H]1C[C@@H](O)CN1)Oc1ccccc1Cl.
What is the InChIKey of (2R,4R)-N-[(2R)-2-(2-chlorophenoxy)propyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is AFSZLTVWMMTXOQ-CKYFFXLPSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-9(20-13-5-3-2-4-11(13)15)7-17-14(19)12-6-10(18)8-16-12/h2-5,9-10,12,16,18H,6-8H2,1H3,(H,17,19)/t9-,10-,12-/m1/s1.
What are the key properties of (2R,4R)-N-[(2R)-2-(2-chlorophenoxy)propyl]-4-hydroxypyrrolidine-2-carboxamide?
(2R,4R)-N-[(2R)-2-(2-chlorophenoxy)propyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 298.77 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-[(2R)-2-(2-chlorophenoxy)propyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 125134999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).