(2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide

C14H21FN2O — CID 63009308

IUPAC(2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
SMILESCC(Cc1ccc(F)cc1)NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C14H21FN2O/c1-9(2)13(16)14(18)17-10(3)8-11-4-6-12(15)7-5-11/h4-7,9-10,13H,8,16H2,1-3H3,(H,17,18)/t10?,13-/m0/s1
InChIKeyGMOSRHYXWQWCRB-HQVZTVAUSA-N
MW252.33 g/mol
LogP1.86
Rot. Bonds5

About (2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide

(2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide (PubChem CID 63009308) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
PubChem CID63009308
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name(2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
SMILESCC(Cc1ccc(F)cc1)NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C14H21FN2O/c1-9(2)13(16)14(18)17-10(3)8-11-4-6-12(15)7-5-11/h4-7,9-10,13H,8,16H2,1-3H3,(H,17,18)/t10?,13-/m0/s1
InChIKeyGMOSRHYXWQWCRB-HQVZTVAUSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 79012581
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide
CID 78919872
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide
CID 76981965
(2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide
CID 79012840
2-[(2-amino-3-methylbutanoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 155171197
3-amino-4-[1-(4-fluorophenyl)propan-2-ylamino]-4-oxobutanoic acid
CID 64894788
2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
CID 62994798
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxybutanamide
CID 63008409
(2R)-2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methylbutanamide
CID 79012346
ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide
CID 166127802
(2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 61474644
(3S)-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]-3,4-dimethylpentanamide
CID 95213981

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide (CID 63009308) is (2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide is CC(Cc1ccc(F)cc1)NC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide?
The InChIKey is GMOSRHYXWQWCRB-HQVZTVAUSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9(2)13(16)14(18)17-10(3)8-11-4-6-12(15)7-5-11/h4-7,9-10,13H,8,16H2,1-3H3,(H,17,18)/t10?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide?
(2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide has a molecular weight of 252.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 63009308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).