(2R)-2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]propan-1-one

C14H19FN2O — CID 119329386

IUPAC(2R)-2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]propan-1-one
SMILESCC1CC(c2cccc(F)c2)N(C(=O)[C@@H](C)N)C1
InChIInChI=1S/C14H19FN2O/c1-9-6-13(11-4-3-5-12(15)7-11)17(8-9)14(18)10(2)16/h3-5,7,9-10,13H,6,8,16H2,1-2H3/t9?,10-,13?/m1/s1
InChIKeyIERQDIZGOLEQPV-RUETXSTFSA-N
MW250.32 g/mol
LogP2.08
Rot. Bonds2

About (2R)-2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]propan-1-one

(2R)-2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]propan-1-one (PubChem CID 119329386) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is (2R)-2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]propan-1-one
PubChem CID119329386
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name(2R)-2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]propan-1-one
SMILESCC1CC(c2cccc(F)c2)N(C(=O)[C@@H](C)N)C1
InChIInChI=1S/C14H19FN2O/c1-9-6-13(11-4-3-5-12(15)7-11)17(8-9)14(18)10(2)16/h3-5,7,9-10,13H,6,8,16H2,1-2H3/t9?,10-,13?/m1/s1
InChIKeyIERQDIZGOLEQPV-RUETXSTFSA-N
XLogP2.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone
CID 119329380
2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone;hydrochloride
CID 119329379
2-(3-fluorophenyl)-N,4-dimethylpyrrolidine-1-carboxamide
CID 136528712
1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119793860
4-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methoxybutan-1-one;hydrochloride
CID 120592747
7-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]heptan-1-one;hydrochloride
CID 119793846
1-[(2R,4S)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methylsulfonylpropan-1-one
CID 95979608
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone;hydrochloride
CID 120794067
2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone
CID 119793865
1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119793879
4-[[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023377
4-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 120692128

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]propan-1-one (CID 119329386) is (2R)-2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]propan-1-one is CC1CC(c2cccc(F)c2)N(C(=O)[C@@H](C)N)C1.
What is the InChIKey of (2R)-2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]propan-1-one?
The InChIKey is IERQDIZGOLEQPV-RUETXSTFSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9-6-13(11-4-3-5-12(15)7-11)17(8-9)14(18)10(2)16/h3-5,7,9-10,13H,6,8,16H2,1-2H3/t9?,10-,13?/m1/s1.
What are the key properties of (2R)-2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]propan-1-one?
(2R)-2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]propan-1-one has a molecular weight of 250.32 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 119329386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).