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

C14H21FN2O — CID 81377311

IUPAC(2S)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)N[C@H](C)c1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-9(2)8-13(16)14(18)17-10(3)11-6-4-5-7-12(11)15/h4-7,9-10,13H,8,16H2,1-3H3,(H,17,18)/t10-,13+/m1/s1
InChIKeyAKDGYLWDZOPJPL-MFKMUULPSA-N
MW252.33 g/mol
LogP2.38
Rot. Bonds5

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

(2S)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methylpentanamide (PubChem CID 81377311) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methylpentanamide
PubChem CID81377311
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name(2S)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)N[C@H](C)c1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-9(2)8-13(16)14(18)17-10(3)11-6-4-5-7-12(11)15/h4-7,9-10,13H,8,16H2,1-3H3,(H,17,18)/t10-,13+/m1/s1
InChIKeyAKDGYLWDZOPJPL-MFKMUULPSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanediamide
CID 81380522
(2R)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanamide
CID 81377906
2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-phenylpropanamide
CID 81374394
(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-3-phenylpropanamide
CID 61178322
(2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 78972216
(2S)-2-amino-4-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119669721
2-chloro-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 43346434
3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide
CID 60927923
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 81348779
2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 106312576
3-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylpropanamide
CID 81375006
3-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropanamide
CID 62851853

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methylpentanamide (CID 81377311) is (2S)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)N[C@H](C)c1ccccc1F.
What is the InChIKey of (2S)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methylpentanamide?
The InChIKey is AKDGYLWDZOPJPL-MFKMUULPSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9(2)8-13(16)14(18)17-10(3)11-6-4-5-7-12(11)15/h4-7,9-10,13H,8,16H2,1-3H3,(H,17,18)/t10-,13+/m1/s1.
What are the key properties of (2S)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methylpentanamide?
(2S)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methylpentanamide has a molecular weight of 252.33 g/mol, XLogP of 2.38, 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-[(1R)-1-(2-fluorophenyl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 81377311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).