(2S)-1-[2-[(4-fluorophenyl)methylamino]acetyl]pyrrolidine-2-carbonitrile

C14H16FN3O — CID 23646105

IUPAC(2S)-1-[2-[(4-fluorophenyl)methylamino]acetyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)CNCc1ccc(F)cc1
InChIInChI=1S/C14H16FN3O/c15-12-5-3-11(4-6-12)9-17-10-14(19)18-7-1-2-13(18)8-16/h3-6,13,17H,1-2,7,9-10H2/t13-/m0/s1
InChIKeyNTIOVEPRZJLUHB-ZDUSSCGKSA-N
MW261.30 g/mol
LogP1.43
Rot. Bonds4

About (2S)-1-[2-[(4-fluorophenyl)methylamino]acetyl]pyrrolidine-2-carbonitrile

(2S)-1-[2-[(4-fluorophenyl)methylamino]acetyl]pyrrolidine-2-carbonitrile (PubChem CID 23646105) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is (2S)-1-[2-[(4-fluorophenyl)methylamino]acetyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[2-[(4-fluorophenyl)methylamino]acetyl]pyrrolidine-2-carbonitrile
PubChem CID23646105
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name(2S)-1-[2-[(4-fluorophenyl)methylamino]acetyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)CNCc1ccc(F)cc1
InChIInChI=1S/C14H16FN3O/c15-12-5-3-11(4-6-12)9-17-10-14(19)18-7-1-2-13(18)8-16/h3-6,13,17H,1-2,7,9-10H2/t13-/m0/s1
InChIKeyNTIOVEPRZJLUHB-ZDUSSCGKSA-N
XLogP1.43
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Acetamide, N-benzyl-2-(1-pyrrolidinyl)-, hydrochloride
CID 2959243
(2S)-1-{2-[(2-phenylethyl)amino]acetyl}pyrrolidine-2-carbonitrile
CID 11076103
3-[2-(2-Cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-N-phenethylpropionamide
CID 11566106
3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-N-(1-phenylpropyl)propionamide
CID 11580945
N-Benzyl-3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-propionamide
CID 11645337
3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-N-(1-methyl-1-phenylethyl)propionamide
CID 11702902
(2S)-1-{[(2S,5R)-5-phenylpyrrolidin-2-yl]carbonyl}pyrrolidine-2-carbonitrile
CID 11703663
(R)-N-Benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 155213164
1-Pyrrolidineacetamide, N-[(2-fluorophenyl)methyl]-|A-methyl-2,5-dioxo-, (|AR)-
CID 155213179
1-[(2-Fluorophenyl)methyl]imidazolidine-2,4,5-trione
CID 2767579
1-Pyrrolidineacetamide, N-(diphenylmethyl)-
CID 216501
Acetamide, 2-(diethylamino)-N-(phenylmethyl)-
CID 969777

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[(4-fluorophenyl)methylamino]acetyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[2-[(4-fluorophenyl)methylamino]acetyl]pyrrolidine-2-carbonitrile (CID 23646105) is (2S)-1-[2-[(4-fluorophenyl)methylamino]acetyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[2-[(4-fluorophenyl)methylamino]acetyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[2-[(4-fluorophenyl)methylamino]acetyl]pyrrolidine-2-carbonitrile is N#C[C@@H]1CCCN1C(=O)CNCc1ccc(F)cc1.
What is the InChIKey of (2S)-1-[2-[(4-fluorophenyl)methylamino]acetyl]pyrrolidine-2-carbonitrile?
The InChIKey is NTIOVEPRZJLUHB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-12-5-3-11(4-6-12)9-17-10-14(19)18-7-1-2-13(18)8-16/h3-6,13,17H,1-2,7,9-10H2/t13-/m0/s1.
What are the key properties of (2S)-1-[2-[(4-fluorophenyl)methylamino]acetyl]pyrrolidine-2-carbonitrile?
(2S)-1-[2-[(4-fluorophenyl)methylamino]acetyl]pyrrolidine-2-carbonitrile has a molecular weight of 261.30 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[(4-fluorophenyl)methylamino]acetyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 23646105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).