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

C14H19FN2O2 — CID 95903648

IUPAC(3R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(3-fluorophenyl)-3-methylbutanamide
SMILESC[C@@H](CC(=O)N[C@@H](C)C(N)=O)Cc1cccc(F)c1
InChIInChI=1S/C14H19FN2O2/c1-9(6-11-4-3-5-12(15)8-11)7-13(18)17-10(2)14(16)19/h3-5,8-10H,6-7H2,1-2H3,(H2,16,19)(H,17,18)/t9-,10+/m1/s1
InChIKeyXBCZYHXNFPWNAY-ZJUUUORDSA-N
MW266.32 g/mol
LogP1.38
Rot. Bonds6

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

(3R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(3-fluorophenyl)-3-methylbutanamide (PubChem CID 95903648) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is (3R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(3-fluorophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(3-fluorophenyl)-3-methylbutanamide
PubChem CID95903648
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name(3R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(3-fluorophenyl)-3-methylbutanamide
SMILESC[C@@H](CC(=O)N[C@@H](C)C(N)=O)Cc1cccc(F)c1
InChIInChI=1S/C14H19FN2O2/c1-9(6-11-4-3-5-12(15)8-11)7-13(18)17-10(2)14(16)19/h3-5,8-10H,6-7H2,1-2H3,(H2,16,19)(H,17,18)/t9-,10+/m1/s1
InChIKeyXBCZYHXNFPWNAY-ZJUUUORDSA-N
XLogP1.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]butanoic acid
CID 119347966
2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide
CID 115708042
N-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119997569
2-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]acetic acid
CID 119350465
N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119499131
N-(1-amino-2-methylpropan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119524696
N-(3-aminopropyl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119408534
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119608606
N-[2-(aminomethyl)cyclopentyl]-4-(3-fluorophenyl)-3-methylbutanamide
CID 119604718
4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide
CID 111542772
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119599995
1-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 119350665

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(3-fluorophenyl)-3-methylbutanamide?
The IUPAC name of (3R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(3-fluorophenyl)-3-methylbutanamide (CID 95903648) is (3R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(3-fluorophenyl)-3-methylbutanamide.
What is the SMILES notation for (3R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(3-fluorophenyl)-3-methylbutanamide?
The canonical SMILES for (3R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(3-fluorophenyl)-3-methylbutanamide is C[C@@H](CC(=O)N[C@@H](C)C(N)=O)Cc1cccc(F)c1.
What is the InChIKey of (3R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(3-fluorophenyl)-3-methylbutanamide?
The InChIKey is XBCZYHXNFPWNAY-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9(6-11-4-3-5-12(15)8-11)7-13(18)17-10(2)14(16)19/h3-5,8-10H,6-7H2,1-2H3,(H2,16,19)(H,17,18)/t9-,10+/m1/s1.
What are the key properties of (3R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(3-fluorophenyl)-3-methylbutanamide?
(3R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(3-fluorophenyl)-3-methylbutanamide has a molecular weight of 266.32 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(3-fluorophenyl)-3-methylbutanamide is sourced from PubChem (CID 95903648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).