4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide

C13H18N2O3 — CID 114010288

IUPAC4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide
SMILESO=C(N[C@@H](CO)c1ccccc1)C1CC(O)CN1
InChIInChI=1S/C13H18N2O3/c16-8-12(9-4-2-1-3-5-9)15-13(18)11-6-10(17)7-14-11/h1-5,10-12,14,16-17H,6-8H2,(H,15,18)/t10?,11?,12-/m0/s1
InChIKeyVXJRABUCXKZDRQ-MCIGGMRASA-N
MW250.30 g/mol
LogP-0.44
Rot. Bonds4

About 4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide

4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide (PubChem CID 114010288) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide
PubChem CID114010288
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide
SMILESO=C(N[C@@H](CO)c1ccccc1)C1CC(O)CN1
InChIInChI=1S/C13H18N2O3/c16-8-12(9-4-2-1-3-5-9)15-13(18)11-6-10(17)7-14-11/h1-5,10-12,14,16-17H,6-8H2,(H,15,18)/t10?,11?,12-/m0/s1
InChIKeyVXJRABUCXKZDRQ-MCIGGMRASA-N
XLogP-0.44
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-N-[(1R)-1-(4-bromophenyl)-2-hydroxyethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 176976924
N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 107863284
(2R,4S)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125138942
(2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125150269
N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide
CID 107863240
(2S)-4-hydroxy-N-[(1R)-2-hydroxy-1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 175942468
N-[1-(4-bromophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43705008
N-[(1R)-2-hydroxy-1-phenylethyl]cyclopent-3-ene-1-carboxamide
CID 113258888
N-[(1S)-2-hydroxy-1-phenylethyl]morpholine-3-carboxamide
CID 107862923
4-hydroxy-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide
CID 61254438
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

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide (CID 114010288) is 4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide is O=C(N[C@@H](CO)c1ccccc1)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide?
The InChIKey is VXJRABUCXKZDRQ-MCIGGMRASA-N. The full InChI is InChI=1S/C13H18N2O3/c16-8-12(9-4-2-1-3-5-9)15-13(18)11-6-10(17)7-14-11/h1-5,10-12,14,16-17H,6-8H2,(H,15,18)/t10?,11?,12-/m0/s1.
What are the key properties of 4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of -0.44, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 114010288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).