(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide

C15H21FN2O2 — CID 119309353

IUPAC(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
SMILESC[C@H](N)C(=O)N(Cc1cccc(F)c1)CC1CCCO1
InChIInChI=1S/C15H21FN2O2/c1-11(17)15(19)18(10-14-6-3-7-20-14)9-12-4-2-5-13(16)8-12/h2,4-5,8,11,14H,3,6-7,9-10,17H2,1H3/t11-,14?/m0/s1
InChIKeyBODSWIUXYRTGTP-ZSOXZCCMSA-N
MW280.34 g/mol
LogP1.68
Rot. Bonds5

About (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide

(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 119309353) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID119309353
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
SMILESC[C@H](N)C(=O)N(Cc1cccc(F)c1)CC1CCCO1
InChIInChI=1S/C15H21FN2O2/c1-11(17)15(19)18(10-14-6-3-7-20-14)9-12-4-2-5-13(16)8-12/h2,4-5,8,11,14H,3,6-7,9-10,17H2,1H3/t11-,14?/m0/s1
InChIKeyBODSWIUXYRTGTP-ZSOXZCCMSA-N
XLogP1.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide (CID 119309353) is (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide is C[C@H](N)C(=O)N(Cc1cccc(F)c1)CC1CCCO1.
What is the InChIKey of (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is BODSWIUXYRTGTP-ZSOXZCCMSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-11(17)15(19)18(10-14-6-3-7-20-14)9-12-4-2-5-13(16)8-12/h2,4-5,8,11,14H,3,6-7,9-10,17H2,1H3/t11-,14?/m0/s1.
What are the key properties of (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide?
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 280.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 119309353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).