N-[(2S)-1-aminopropan-2-yl]-3-(2-fluorophenyl)butanamide

C13H19FN2O — CID 120505857

IUPACN-[(2S)-1-aminopropan-2-yl]-3-(2-fluorophenyl)butanamide
SMILESCC(CC(=O)N[C@@H](C)CN)c1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-9(7-13(17)16-10(2)8-15)11-5-3-4-6-12(11)14/h3-6,9-10H,7-8,15H2,1-2H3,(H,16,17)/t9?,10-/m0/s1
InChIKeyNLDLSAZKBGURSD-AXDSSHIGSA-N
MW238.31 g/mol
LogP1.78
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-3-(2-fluorophenyl)butanamide

N-[(2S)-1-aminopropan-2-yl]-3-(2-fluorophenyl)butanamide (PubChem CID 120505857) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-3-(2-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-3-(2-fluorophenyl)butanamide
PubChem CID120505857
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-3-(2-fluorophenyl)butanamide
SMILESCC(CC(=O)N[C@@H](C)CN)c1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-9(7-13(17)16-10(2)8-15)11-5-3-4-6-12(11)14/h3-6,9-10H,7-8,15H2,1-2H3,(H,16,17)/t9?,10-/m0/s1
InChIKeyNLDLSAZKBGURSD-AXDSSHIGSA-N
XLogP1.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-fluorophenyl)butanoylamino]propanoic acid
CID 119225742
N-(3-amino-2-methylpropyl)-3-(2-fluorophenyl)butanamide
CID 119995472
3-[3-(2-fluorophenyl)butanoylamino]-3-phenylpropanoic acid
CID 119114018
N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride
CID 120506125
N-(3-aminobutyl)-3-(2-fluorophenyl)butanamide
CID 119499708
2-[3-(2-fluorophenyl)butanoylamino]acetic acid
CID 119171648
N-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide
CID 110833187
3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide
CID 60927923
3-(2-fluorophenyl)-N-piperidin-4-ylbutanamide
CID 119390456
2-amino-N-[1-(2-fluorophenyl)propan-2-yl]acetamide;hydrochloride
CID 119289007
3-[3-[2-(trifluoromethyl)phenyl]butanoylamino]butanoic acid
CID 119221373
(3R)-4-amino-3-(2-fluorophenyl)butanoic acid
CID 55275306

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-(2-fluorophenyl)butanamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-(2-fluorophenyl)butanamide (CID 120505857) is N-[(2S)-1-aminopropan-2-yl]-3-(2-fluorophenyl)butanamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-3-(2-fluorophenyl)butanamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-3-(2-fluorophenyl)butanamide is CC(CC(=O)N[C@@H](C)CN)c1ccccc1F.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-3-(2-fluorophenyl)butanamide?
The InChIKey is NLDLSAZKBGURSD-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9(7-13(17)16-10(2)8-15)11-5-3-4-6-12(11)14/h3-6,9-10H,7-8,15H2,1-2H3,(H,16,17)/t9?,10-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-3-(2-fluorophenyl)butanamide?
N-[(2S)-1-aminopropan-2-yl]-3-(2-fluorophenyl)butanamide has a molecular weight of 238.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-3-(2-fluorophenyl)butanamide is sourced from PubChem (CID 120505857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).