(2-carbamoylpyrrolidin-1-yl) benzoate

C12H14N2O3 — CID 126553018

IUPAC(2-carbamoylpyrrolidin-1-yl) benzoate
SMILESNC(=O)C1CCCN1OC(=O)c1ccccc1
InChIInChI=1S/C12H14N2O3/c13-11(15)10-7-4-8-14(10)17-12(16)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,13,15)
InChIKeyJAWVFQAHGLXRJU-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.71
Rot. Bonds3

About (2-carbamoylpyrrolidin-1-yl) benzoate

(2-carbamoylpyrrolidin-1-yl) benzoate (PubChem CID 126553018) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is (2-carbamoylpyrrolidin-1-yl) benzoate.

Molecular Properties

Compound Name(2-carbamoylpyrrolidin-1-yl) benzoate
PubChem CID126553018
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name(2-carbamoylpyrrolidin-1-yl) benzoate
SMILESNC(=O)C1CCCN1OC(=O)c1ccccc1
InChIInChI=1S/C12H14N2O3/c13-11(15)10-7-4-8-14(10)17-12(16)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,13,15)
InChIKeyJAWVFQAHGLXRJU-UHFFFAOYSA-N
XLogP0.71
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-iminoacetyl)pyrrolidin-1-yl] benzoate
CID 163833096
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate
CID 8808423
[(2R)-2-(5-fluoro-1H-indole-3-carbonyl)pyrrolidin-1-yl] benzoate
CID 169244423
4,4a,6,7,8,8a-hexahydro-1H-pyrido[3,2-d]pyrimidin-5-yl benzoate
CID 140765297
1-phenacylpiperidine-2-carboxamide
CID 60681003
[2-(4-methoxy-1H-indole-3-carbonyl)pyrrolidin-1-yl] benzoate
CID 169244455
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-phenoxybenzoate
CID 9009258
(2R)-1-(2-phenylacetyl)oxypyrrolidine-2-carboxylic acid
CID 682262
[(2S)-2-(4-phenylmethoxy-1H-indole-3-carbonyl)pyrrolidin-1-yl] benzoate
CID 156821019
2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid
CID 43396532
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino] benzoate
CID 131844741

Frequently Asked Questions

What is the IUPAC name of (2-carbamoylpyrrolidin-1-yl) benzoate?
The IUPAC name of (2-carbamoylpyrrolidin-1-yl) benzoate (CID 126553018) is (2-carbamoylpyrrolidin-1-yl) benzoate.
What is the SMILES notation for (2-carbamoylpyrrolidin-1-yl) benzoate?
The canonical SMILES for (2-carbamoylpyrrolidin-1-yl) benzoate is NC(=O)C1CCCN1OC(=O)c1ccccc1.
What is the InChIKey of (2-carbamoylpyrrolidin-1-yl) benzoate?
The InChIKey is JAWVFQAHGLXRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c13-11(15)10-7-4-8-14(10)17-12(16)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,13,15).
What are the key properties of (2-carbamoylpyrrolidin-1-yl) benzoate?
(2-carbamoylpyrrolidin-1-yl) benzoate has a molecular weight of 234.25 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoylpyrrolidin-1-yl) benzoate is sourced from PubChem (CID 126553018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).