(2S)-2-amino-N-cyclopropyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylbutanamide

C16H23FN2O — CID 96554775

IUPAC(2S)-2-amino-N-cyclopropyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)N(C1CC1)[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O/c1-10(2)15(18)16(20)19(14-8-9-14)11(3)12-4-6-13(17)7-5-12/h4-7,10-11,14-15H,8-9,18H2,1-3H3/t11-,15+/m1/s1
InChIKeyBHRGMOAHEGGWFH-ABAIWWIYSA-N
MW278.37 g/mol
LogP2.86
Rot. Bonds5

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

(2S)-2-amino-N-cyclopropyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylbutanamide (PubChem CID 96554775) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopropyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopropyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylbutanamide
PubChem CID96554775
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name(2S)-2-amino-N-cyclopropyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)N(C1CC1)[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O/c1-10(2)15(18)16(20)19(14-8-9-14)11(3)12-4-6-13(17)7-5-12/h4-7,10-11,14-15H,8-9,18H2,1-3H3/t11-,15+/m1/s1
InChIKeyBHRGMOAHEGGWFH-ABAIWWIYSA-N
XLogP2.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopropyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-cyclopropyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylbutanamide (CID 96554775) is (2S)-2-amino-N-cyclopropyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclopropyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-cyclopropyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)N(C1CC1)[C@H](C)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-amino-N-cyclopropyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylbutanamide?
The InChIKey is BHRGMOAHEGGWFH-ABAIWWIYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-10(2)15(18)16(20)19(14-8-9-14)11(3)12-4-6-13(17)7-5-12/h4-7,10-11,14-15H,8-9,18H2,1-3H3/t11-,15+/m1/s1.
What are the key properties of (2S)-2-amino-N-cyclopropyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylbutanamide?
(2S)-2-amino-N-cyclopropyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylbutanamide has a molecular weight of 278.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclopropyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 96554775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).