(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)pentanamide

C12H18N2O2 — CID 107570097

IUPAC(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1cccc(C)c1O
InChIInChI=1S/C12H18N2O2/c1-3-5-9(13)12(16)14-10-7-4-6-8(2)11(10)15/h4,6-7,9,15H,3,5,13H2,1-2H3,(H,14,16)/t9-/m0/s1
InChIKeyXGVKBJVMBVTMHL-VIFPVBQESA-N
MW222.29 g/mol
LogP1.77
Rot. Bonds4

About (2S)-2-amino-N-(2-hydroxy-3-methylphenyl)pentanamide

(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)pentanamide (PubChem CID 107570097) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxy-3-methylphenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)pentanamide
PubChem CID107570097
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1cccc(C)c1O
InChIInChI=1S/C12H18N2O2/c1-3-5-9(13)12(16)14-10-7-4-6-8(2)11(10)15/h4,6-7,9,15H,3,5,13H2,1-2H3,(H,14,16)/t9-/m0/s1
InChIKeyXGVKBJVMBVTMHL-VIFPVBQESA-N
XLogP1.77
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-hydroxy-3-methylphenyl)hexanamide
CID 79596538
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide
CID 79602874
3-amino-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide
CID 79602866
2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602659
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602661
4-amino-N-(2-hydroxy-3-methylphenyl)-2-methylbutanamide
CID 80545256
(2R)-2-amino-N-(2-hydroxy-3-methylphenyl)-3,3-dimethylbutanamide
CID 103930188
2-amino-N-(2-chloro-6-methylphenyl)pentanamide
CID 66254750
(2R)-2-amino-N-(3-methyl-2-pyridinyl)pentanamide
CID 107568105
(2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide
CID 103793966
2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide
CID 43695727
2-amino-N-[2-(methoxymethyl)phenyl]pentanamide
CID 43701011

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxy-3-methylphenyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxy-3-methylphenyl)pentanamide (CID 107570097) is (2S)-2-amino-N-(2-hydroxy-3-methylphenyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxy-3-methylphenyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxy-3-methylphenyl)pentanamide is CCC[C@H](N)C(=O)Nc1cccc(C)c1O.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxy-3-methylphenyl)pentanamide?
The InChIKey is XGVKBJVMBVTMHL-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-5-9(13)12(16)14-10-7-4-6-8(2)11(10)15/h4,6-7,9,15H,3,5,13H2,1-2H3,(H,14,16)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxy-3-methylphenyl)pentanamide?
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)pentanamide has a molecular weight of 222.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-hydroxy-3-methylphenyl)pentanamide is sourced from PubChem (CID 107570097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).