(2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide

C15H21FN2O — CID 61162931

IUPAC(2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C15H21FN2O/c1-10(2)14(17)15(19)18(12-7-8-12)9-11-5-3-4-6-13(11)16/h3-6,10,12,14H,7-9,17H2,1-2H3/t14-/m0/s1
InChIKeyNOOOWXUGKPYWTP-AWEZNQCLSA-N
MW264.34 g/mol
LogP2.30
Rot. Bonds5

About (2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide

(2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide (PubChem CID 61162931) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
PubChem CID61162931
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name(2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C15H21FN2O/c1-10(2)14(17)15(19)18(12-7-8-12)9-11-5-3-4-6-13(11)16/h3-6,10,12,14H,7-9,17H2,1-2H3/t14-/m0/s1
InChIKeyNOOOWXUGKPYWTP-AWEZNQCLSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide (CID 61162931) is (2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of (2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide?
The InChIKey is NOOOWXUGKPYWTP-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10(2)14(17)15(19)18(12-7-8-12)9-11-5-3-4-6-13(11)16/h3-6,10,12,14H,7-9,17H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide?
(2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide has a molecular weight of 264.34 g/mol, XLogP of 2.30, 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-[(2-fluorophenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 61162931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).