(2S)-2-amino-N-(3-fluoro-5-methylphenyl)propanamide

C10H13FN2O — CID 79049472

IUPAC(2S)-2-amino-N-(3-fluoro-5-methylphenyl)propanamide
SMILESCc1cc(F)cc(NC(=O)[C@H](C)N)c1
InChIInChI=1S/C10H13FN2O/c1-6-3-8(11)5-9(4-6)13-10(14)7(2)12/h3-5,7H,12H2,1-2H3,(H,13,14)/t7-/m0/s1
InChIKeyWWLLTYNDLWNAHP-ZETCQYMHSA-N
MW196.22 g/mol
LogP1.42
Rot. Bonds2

About (2S)-2-amino-N-(3-fluoro-5-methylphenyl)propanamide

(2S)-2-amino-N-(3-fluoro-5-methylphenyl)propanamide (PubChem CID 79049472) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-fluoro-5-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-fluoro-5-methylphenyl)propanamide
PubChem CID79049472
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name(2S)-2-amino-N-(3-fluoro-5-methylphenyl)propanamide
SMILESCc1cc(F)cc(NC(=O)[C@H](C)N)c1
InChIInChI=1S/C10H13FN2O/c1-6-3-8(11)5-9(4-6)13-10(14)7(2)12/h3-5,7H,12H2,1-2H3,(H,13,14)/t7-/m0/s1
InChIKeyWWLLTYNDLWNAHP-ZETCQYMHSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(3-fluoro-5-methylphenyl)propanamide
CID 79050426
(2S)-2-amino-N-(3-fluoro-5-methylphenyl)hexanamide
CID 103950769
(2S)-2-amino-N-(4-bromo-3,5-dimethylphenyl)propanamide
CID 107574322
2-amino-N-(4-fluorophenyl)propanamide;hydrochloride
CID 56832255
2-amino-N-(2,6-dimethyl-4-pyridinyl)propanamide;hydrochloride
CID 130978046
(2S)-2-amino-N-(4-fluoro-3-methylphenyl)propanamide
CID 62813030
(2R)-2-amino-N-(3,5-difluorophenyl)-3,3-dimethylbutanamide
CID 103928376
N-(3-amino-5-methylphenyl)-2-hydroxypropanamide
CID 123546045
(2R)-2-amino-N-(3,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119290623
N-(3-fluoro-5-methylphenyl)propanamide
CID 79047082
N-(3-fluoro-5-methylphenyl)-2-(methylamino)acetamide
CID 79050421
2-[(3-fluoro-5-methylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 79049368

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-fluoro-5-methylphenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(3-fluoro-5-methylphenyl)propanamide (CID 79049472) is (2S)-2-amino-N-(3-fluoro-5-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-fluoro-5-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(3-fluoro-5-methylphenyl)propanamide is Cc1cc(F)cc(NC(=O)[C@H](C)N)c1.
What is the InChIKey of (2S)-2-amino-N-(3-fluoro-5-methylphenyl)propanamide?
The InChIKey is WWLLTYNDLWNAHP-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-6-3-8(11)5-9(4-6)13-10(14)7(2)12/h3-5,7H,12H2,1-2H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-fluoro-5-methylphenyl)propanamide?
(2S)-2-amino-N-(3-fluoro-5-methylphenyl)propanamide has a molecular weight of 196.22 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-fluoro-5-methylphenyl)propanamide is sourced from PubChem (CID 79049472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).