(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide

C14H19FN2O — CID 79024748

IUPAC(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide
SMILESCC[C@H](N)C(=O)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H19FN2O/c1-2-13(16)14(18)17(12-7-8-12)9-10-3-5-11(15)6-4-10/h3-6,12-13H,2,7-9,16H2,1H3/t13-/m0/s1
InChIKeyWWCNYTFCRDICDA-ZDUSSCGKSA-N
MW250.32 g/mol
LogP2.05
Rot. Bonds5

About (2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide

(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide (PubChem CID 79024748) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide
PubChem CID79024748
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide
SMILESCC[C@H](N)C(=O)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H19FN2O/c1-2-13(16)14(18)17(12-7-8-12)9-10-3-5-11(15)6-4-10/h3-6,12-13H,2,7-9,16H2,1H3/t13-/m0/s1
InChIKeyWWCNYTFCRDICDA-ZDUSSCGKSA-N
XLogP2.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 61165604
N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide
CID 103603514
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
CID 107904215
2-(aminomethyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 65230166
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide
CID 60938574
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-ethylbutanamide
CID 43460533
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 114328092
(2S)-2-amino-N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]pentanamide
CID 61165448
(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-methylpentanamide
CID 61173219
2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]butanamide
CID 54872454
(2S,3S)-2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpentanamide
CID 61163913
4-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 81076206

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide?
The IUPAC name of (2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide (CID 79024748) is (2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide is CC[C@H](N)C(=O)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of (2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide?
The InChIKey is WWCNYTFCRDICDA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-13(16)14(18)17(12-7-8-12)9-10-3-5-11(15)6-4-10/h3-6,12-13H,2,7-9,16H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide?
(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide has a molecular weight of 250.32 g/mol, XLogP of 2.05, 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-[(4-fluorophenyl)methyl]butanamide is sourced from PubChem (CID 79024748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).