(2S)-2-amino-3-cyclopropyl-N-ethyl-N-(2-fluorophenyl)propanamide

C14H19FN2O — CID 112735328

IUPAC(2S)-2-amino-3-cyclopropyl-N-ethyl-N-(2-fluorophenyl)propanamide
SMILESCCN(C(=O)[C@@H](N)CC1CC1)c1ccccc1F
InChIInChI=1S/C14H19FN2O/c1-2-17(13-6-4-3-5-11(13)15)14(18)12(16)9-10-7-8-10/h3-6,10,12H,2,7-9,16H2,1H3/t12-/m0/s1
InChIKeyJTTHDAMRYBKBQB-LBPRGKRZSA-N
MW250.32 g/mol
LogP2.31
Rot. Bonds5

About (2S)-2-amino-3-cyclopropyl-N-ethyl-N-(2-fluorophenyl)propanamide

(2S)-2-amino-3-cyclopropyl-N-ethyl-N-(2-fluorophenyl)propanamide (PubChem CID 112735328) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is (2S)-2-amino-3-cyclopropyl-N-ethyl-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-cyclopropyl-N-ethyl-N-(2-fluorophenyl)propanamide
PubChem CID112735328
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name(2S)-2-amino-3-cyclopropyl-N-ethyl-N-(2-fluorophenyl)propanamide
SMILESCCN(C(=O)[C@@H](N)CC1CC1)c1ccccc1F
InChIInChI=1S/C14H19FN2O/c1-2-17(13-6-4-3-5-11(13)15)14(18)12(16)9-10-7-8-10/h3-6,10,12H,2,7-9,16H2,1H3/t12-/m0/s1
InChIKeyJTTHDAMRYBKBQB-LBPRGKRZSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-ethyl-N-(2-fluorophenyl)-2-phenylpropanamide
CID 62877338
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
(2S)-2-amino-N-benzyl-3-cyclopropyl-N-methylpropanamide
CID 130520934
2-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978665
3-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550638
(2S)-2-amino-N-ethyl-N-(2-methylphenyl)-3-phenylpropanamide
CID 61148945
4-amino-N-ethyl-N-(2-fluorophenyl)-3-methylbutanamide
CID 81087068
2-amino-4-(N-ethyl-2-fluoroanilino)butanoic acid
CID 63054175
N-ethyl-N-(2-fluorophenyl)-2-piperidin-3-ylacetamide
CID 55105522
N-ethyl-N-(2-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79388805
2-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylpropanamide
CID 115179779
N-ethyl-N-(2-fluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106739902

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-cyclopropyl-N-ethyl-N-(2-fluorophenyl)propanamide?
The IUPAC name of (2S)-2-amino-3-cyclopropyl-N-ethyl-N-(2-fluorophenyl)propanamide (CID 112735328) is (2S)-2-amino-3-cyclopropyl-N-ethyl-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-cyclopropyl-N-ethyl-N-(2-fluorophenyl)propanamide?
The canonical SMILES for (2S)-2-amino-3-cyclopropyl-N-ethyl-N-(2-fluorophenyl)propanamide is CCN(C(=O)[C@@H](N)CC1CC1)c1ccccc1F.
What is the InChIKey of (2S)-2-amino-3-cyclopropyl-N-ethyl-N-(2-fluorophenyl)propanamide?
The InChIKey is JTTHDAMRYBKBQB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-17(13-6-4-3-5-11(13)15)14(18)12(16)9-10-7-8-10/h3-6,10,12H,2,7-9,16H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-2-amino-3-cyclopropyl-N-ethyl-N-(2-fluorophenyl)propanamide?
(2S)-2-amino-3-cyclopropyl-N-ethyl-N-(2-fluorophenyl)propanamide has a molecular weight of 250.32 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-cyclopropyl-N-ethyl-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 112735328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).