(2S)-2-amino-N-(2-chloro-5-methoxyphenyl)pentanamide

C12H17ClN2O2 — CID 107569473

IUPAC(2S)-2-amino-N-(2-chloro-5-methoxyphenyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1cc(OC)ccc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-3-4-10(14)12(16)15-11-7-8(17-2)5-6-9(11)13/h5-7,10H,3-4,14H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyKKLGFHRGHMUXSQ-JTQLQIEISA-N
MW256.73 g/mol
LogP2.41
Rot. Bonds5

About (2S)-2-amino-N-(2-chloro-5-methoxyphenyl)pentanamide

(2S)-2-amino-N-(2-chloro-5-methoxyphenyl)pentanamide (PubChem CID 107569473) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-chloro-5-methoxyphenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-chloro-5-methoxyphenyl)pentanamide
PubChem CID107569473
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name(2S)-2-amino-N-(2-chloro-5-methoxyphenyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1cc(OC)ccc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-3-4-10(14)12(16)15-11-7-8(17-2)5-6-9(11)13/h5-7,10H,3-4,14H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyKKLGFHRGHMUXSQ-JTQLQIEISA-N
XLogP2.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-chloro-5-methoxyphenyl)-5-methoxypentanamide
CID 81089395
(2S)-2-amino-N-(2-hydroxy-5-methoxyphenyl)pentanamide
CID 107570852
(2R)-2-amino-N-(2-bromo-5-methoxyphenyl)pentanamide
CID 113264050
2-amino-N-(2,5-dimethoxyphenyl)pentanamide;hydrochloride
CID 119263329
2-amino-N-(5-methoxy-2-propan-2-yloxyphenyl)pentanamide;hydrochloride
CID 119318030
3-[[(2S)-2-aminopentanoyl]amino]-4-chlorobenzoic acid
CID 103869558
(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide
CID 107568676
(2S)-2-amino-N-(4-chloro-2,5-dimethoxyphenyl)pentanamide
CID 107567961
2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]pentanamide
CID 43706825
2-amino-N-(4-methoxy-2-methylphenyl)hexanamide
CID 62871713
2-(2-chloro-5-methoxyanilino)pentanoic acid
CID 83040688
(2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide
CID 103831238

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-chloro-5-methoxyphenyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(2-chloro-5-methoxyphenyl)pentanamide (CID 107569473) is (2S)-2-amino-N-(2-chloro-5-methoxyphenyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-chloro-5-methoxyphenyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-chloro-5-methoxyphenyl)pentanamide is CCC[C@H](N)C(=O)Nc1cc(OC)ccc1Cl.
What is the InChIKey of (2S)-2-amino-N-(2-chloro-5-methoxyphenyl)pentanamide?
The InChIKey is KKLGFHRGHMUXSQ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-3-4-10(14)12(16)15-11-7-8(17-2)5-6-9(11)13/h5-7,10H,3-4,14H2,1-2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-chloro-5-methoxyphenyl)pentanamide?
(2S)-2-amino-N-(2-chloro-5-methoxyphenyl)pentanamide has a molecular weight of 256.73 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-chloro-5-methoxyphenyl)pentanamide is sourced from PubChem (CID 107569473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).