(2R)-5-oxo-N-phenylmethoxypyrrolidine-2-carboxamide

C12H14N2O3 — CID 103648882

IUPAC(2R)-5-oxo-N-phenylmethoxypyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)NOCc2ccccc2)N1
InChIInChI=1S/C12H14N2O3/c15-11-7-6-10(13-11)12(16)14-17-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)(H,14,16)/t10-/m1/s1
InChIKeyKBNKBBJWPHRBNR-SNVBAGLBSA-N
MW234.25 g/mol
LogP0.51
Rot. Bonds4

About (2R)-5-oxo-N-phenylmethoxypyrrolidine-2-carboxamide

(2R)-5-oxo-N-phenylmethoxypyrrolidine-2-carboxamide (PubChem CID 103648882) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is (2R)-5-oxo-N-phenylmethoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-5-oxo-N-phenylmethoxypyrrolidine-2-carboxamide
PubChem CID103648882
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name(2R)-5-oxo-N-phenylmethoxypyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)NOCc2ccccc2)N1
InChIInChI=1S/C12H14N2O3/c15-11-7-6-10(13-11)12(16)14-17-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)(H,14,16)/t10-/m1/s1
InChIKeyKBNKBBJWPHRBNR-SNVBAGLBSA-N
XLogP0.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 11044233
5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide
CID 3051644
(4-oxo-4-phenylmethoxybutyl) 5-oxopyrrolidine-2-carboxylate
CID 126720960
4-methyl-N-phenylmethoxycyclohexane-1-carboxamide
CID 79005762
2-cyclopropyl-2-hydroxy-N-phenylmethoxyacetamide
CID 11241500
4-phenylbutyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 57351422
N-phenylmethoxy-8-oxabicyclo[3.2.1]octane-3-carboxamide
CID 142647733
N-phenylmethoxy-4,5,6,7-tetrahydro-2H-benzotriazole-4-carboxamide
CID 166198309
2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 103803780
(3S)-1-oxo-N-phenylmethoxy-3,4-dihydroisochromene-3-carboxamide
CID 95276381
N-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 64882512
3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 24690464

Frequently Asked Questions

What is the IUPAC name of (2R)-5-oxo-N-phenylmethoxypyrrolidine-2-carboxamide?
The IUPAC name of (2R)-5-oxo-N-phenylmethoxypyrrolidine-2-carboxamide (CID 103648882) is (2R)-5-oxo-N-phenylmethoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-5-oxo-N-phenylmethoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-5-oxo-N-phenylmethoxypyrrolidine-2-carboxamide is O=C1CC[C@H](C(=O)NOCc2ccccc2)N1.
What is the InChIKey of (2R)-5-oxo-N-phenylmethoxypyrrolidine-2-carboxamide?
The InChIKey is KBNKBBJWPHRBNR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-11-7-6-10(13-11)12(16)14-17-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)(H,14,16)/t10-/m1/s1.
What are the key properties of (2R)-5-oxo-N-phenylmethoxypyrrolidine-2-carboxamide?
(2R)-5-oxo-N-phenylmethoxypyrrolidine-2-carboxamide has a molecular weight of 234.25 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-oxo-N-phenylmethoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 103648882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).