(2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide

C11H15FN2O — CID 79025489

IUPAC(2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide
SMILESCC[C@H](N)C(=O)NCc1ccccc1F
InChIInChI=1S/C11H15FN2O/c1-2-10(13)11(15)14-7-8-5-3-4-6-9(8)12/h3-6,10H,2,7,13H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyPYBBUMZUHSGQMI-JTQLQIEISA-N
MW210.25 g/mol
LogP1.18
Rot. Bonds4

About (2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide

(2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide (PubChem CID 79025489) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide
PubChem CID79025489
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name(2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide
SMILESCC[C@H](N)C(=O)NCc1ccccc1F
InChIInChI=1S/C11H15FN2O/c1-2-10(13)11(15)14-7-8-5-3-4-6-9(8)12/h3-6,10H,2,7,13H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyPYBBUMZUHSGQMI-JTQLQIEISA-N
XLogP1.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 119270636
2-amino-N-[(2-fluorophenyl)methyl]-4-phenylbutanamide
CID 114924929
3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119679706
2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide
CID 18159420
3-[(2-fluorophenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114897168
(2S)-N-[(2-fluorophenyl)methyl]-2-[methyl(propyl)amino]propanamide
CID 95262158
N-[(2-fluorophenyl)methyl]carbamoyl bromide
CID 115193660
2-amino-N-[(2-fluorophenyl)methyl]-2-methylbutanamide
CID 79796502
(2R)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanamide
CID 81377906
2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide
CID 43649648
N-[(2-fluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76925463
2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride
CID 119331955

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide (CID 79025489) is (2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide is CC[C@H](N)C(=O)NCc1ccccc1F.
What is the InChIKey of (2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide?
The InChIKey is PYBBUMZUHSGQMI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15FN2O/c1-2-10(13)11(15)14-7-8-5-3-4-6-9(8)12/h3-6,10H,2,7,13H2,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide?
(2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide has a molecular weight of 210.25 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide is sourced from PubChem (CID 79025489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).