(2R)-2-amino-N-(3-fluoro-5-methoxyphenyl)pentanamide

C12H17FN2O2 — CID 113264156

IUPAC(2R)-2-amino-N-(3-fluoro-5-methoxyphenyl)pentanamide
SMILESCCC[C@@H](N)C(=O)Nc1cc(F)cc(OC)c1
InChIInChI=1S/C12H17FN2O2/c1-3-4-11(14)12(16)15-9-5-8(13)6-10(7-9)17-2/h5-7,11H,3-4,14H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyQICIIOBLGJTVAT-LLVKDONJSA-N
MW240.28 g/mol
LogP1.90
Rot. Bonds5

About (2R)-2-amino-N-(3-fluoro-5-methoxyphenyl)pentanamide

(2R)-2-amino-N-(3-fluoro-5-methoxyphenyl)pentanamide (PubChem CID 113264156) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-fluoro-5-methoxyphenyl)pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-fluoro-5-methoxyphenyl)pentanamide
PubChem CID113264156
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name(2R)-2-amino-N-(3-fluoro-5-methoxyphenyl)pentanamide
SMILESCCC[C@@H](N)C(=O)Nc1cc(F)cc(OC)c1
InChIInChI=1S/C12H17FN2O2/c1-3-4-11(14)12(16)15-9-5-8(13)6-10(7-9)17-2/h5-7,11H,3-4,14H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyQICIIOBLGJTVAT-LLVKDONJSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide
CID 119290626
2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide;hydrochloride
CID 119290625
2-amino-N-(3,4,5-trifluorophenyl)pentanamide
CID 62814039
(2S)-2-amino-N-(3-fluoro-5-methylphenyl)hexanamide
CID 103950769
(2S)-2-amino-N-(2-chloro-5-methoxyphenyl)pentanamide
CID 107569473
2-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]pentanamide;hydrochloride
CID 119284258
2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)pentanamide
CID 119344118
N-(3-fluoro-5-methoxyphenyl)-2-sulfanylacetamide
CID 130500039
(2S)-2-amino-N-(2,3,5-trifluorophenyl)pentanamide
CID 94872912
3-amino-4-(3,5-difluoroanilino)-4-oxobutanoic acid
CID 64896445
(2S)-2-amino-N-(2-hydroxy-5-methoxyphenyl)pentanamide
CID 107570852
3-amino-3-cyclopropyl-N-(3-fluoro-5-methoxyphenyl)propanamide
CID 113411988

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-fluoro-5-methoxyphenyl)pentanamide?
The IUPAC name of (2R)-2-amino-N-(3-fluoro-5-methoxyphenyl)pentanamide (CID 113264156) is (2R)-2-amino-N-(3-fluoro-5-methoxyphenyl)pentanamide.
What is the SMILES notation for (2R)-2-amino-N-(3-fluoro-5-methoxyphenyl)pentanamide?
The canonical SMILES for (2R)-2-amino-N-(3-fluoro-5-methoxyphenyl)pentanamide is CCC[C@@H](N)C(=O)Nc1cc(F)cc(OC)c1.
What is the InChIKey of (2R)-2-amino-N-(3-fluoro-5-methoxyphenyl)pentanamide?
The InChIKey is QICIIOBLGJTVAT-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-3-4-11(14)12(16)15-9-5-8(13)6-10(7-9)17-2/h5-7,11H,3-4,14H2,1-2H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-(3-fluoro-5-methoxyphenyl)pentanamide?
(2R)-2-amino-N-(3-fluoro-5-methoxyphenyl)pentanamide has a molecular weight of 240.28 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3-fluoro-5-methoxyphenyl)pentanamide is sourced from PubChem (CID 113264156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).