2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide

C13H18N2O2 — CID 78962370

IUPAC2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)N1CC[C@H](O)C1
InChIInChI=1S/C13H18N2O2/c1-10(15-8-7-12(16)9-15)13(17)14-11-5-3-2-4-6-11/h2-6,10,12,16H,7-9H2,1H3,(H,14,17)/t10?,12-/m0/s1
InChIKeyOUCRMFKSMAIOAA-KFJBMODSSA-N
MW234.30 g/mol
LogP1.08
Rot. Bonds3

About 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide

2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide (PubChem CID 78962370) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide
PubChem CID78962370
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)N1CC[C@H](O)C1
InChIInChI=1S/C13H18N2O2/c1-10(15-8-7-12(16)9-15)13(17)14-11-5-3-2-4-6-11/h2-6,10,12,16H,7-9H2,1H3,(H,14,17)/t10?,12-/m0/s1
InChIKeyOUCRMFKSMAIOAA-KFJBMODSSA-N
XLogP1.08
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111332533
N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62916842
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide
CID 111332432
N-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62942601
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473
(2R)-N-phenyl-2-(4-phenylpiperidin-1-yl)propanamide
CID 125483089
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 111332468
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-phenylpropanamide;hydrochloride
CID 119922213
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide
CID 66291565
(2R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-phenylpropanamide
CID 100844501
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylpropanamide
CID 103576816

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide?
The IUPAC name of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide (CID 78962370) is 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide.
What is the SMILES notation for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide?
The canonical SMILES for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide is CC(C(=O)Nc1ccccc1)N1CC[C@H](O)C1.
What is the InChIKey of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide?
The InChIKey is OUCRMFKSMAIOAA-KFJBMODSSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(15-8-7-12(16)9-15)13(17)14-11-5-3-2-4-6-11/h2-6,10,12,16H,7-9H2,1H3,(H,14,17)/t10?,12-/m0/s1.
What are the key properties of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide?
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide has a molecular weight of 234.30 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 78962370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).