(2S)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]-4-methylpentanamide

C15H21FN2O — CID 110482510

IUPAC(2S)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O/c1-10(2)9-13(17)14(19)18-15(7-8-15)11-3-5-12(16)6-4-11/h3-6,10,13H,7-9,17H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyZJCLWBHXODLOFI-ZDUSSCGKSA-N
MW264.34 g/mol
LogP2.30
Rot. Bonds5

About (2S)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]-4-methylpentanamide

(2S)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]-4-methylpentanamide (PubChem CID 110482510) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]-4-methylpentanamide
PubChem CID110482510
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name(2S)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O/c1-10(2)9-13(17)14(19)18-15(7-8-15)11-3-5-12(16)6-4-11/h3-6,10,13H,7-9,17H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyZJCLWBHXODLOFI-ZDUSSCGKSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Remacemide Hydrochloride
CID 60510
Remacemide
CID 60511
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10194634
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(2-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10216510
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(3-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10216511
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenylphenyl)ethyl]amino}pentanamide
CID 23648300
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methylphenyl)phenyl]ethyl]amino}pentanamide
CID 23648301
(1S)-1-Cyclopropyl-2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-YL]-2-oxoethanamine
CID 6102824
(2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(3,4-difluorophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide
CID 10288162
(2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(3,5-difluorophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide
CID 10288163
Ksp-IA
CID 24901494
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-phenylethyl]amino}pentanamide
CID 23648299

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]-4-methylpentanamide (CID 110482510) is (2S)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NC1(c2ccc(F)cc2)CC1.
What is the InChIKey of (2S)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]-4-methylpentanamide?
The InChIKey is ZJCLWBHXODLOFI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10(2)9-13(17)14(19)18-15(7-8-15)11-3-5-12(16)6-4-11/h3-6,10,13H,7-9,17H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]-4-methylpentanamide?
(2S)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]-4-methylpentanamide has a molecular weight of 264.34 g/mol, XLogP of 2.30, 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)cyclopropyl]-4-methylpentanamide is sourced from PubChem (CID 110482510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).