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

C12H18N2O3 — CID 107570852

IUPAC(2S)-2-amino-N-(2-hydroxy-5-methoxyphenyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1cc(OC)ccc1O
InChIInChI=1S/C12H18N2O3/c1-3-4-9(13)12(16)14-10-7-8(17-2)5-6-11(10)15/h5-7,9,15H,3-4,13H2,1-2H3,(H,14,16)/t9-/m0/s1
InChIKeyMBOCJOPRQOUZBX-VIFPVBQESA-N
MW238.29 g/mol
LogP1.47
Rot. Bonds5

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

(2S)-2-amino-N-(2-hydroxy-5-methoxyphenyl)pentanamide (PubChem CID 107570852) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxy-5-methoxyphenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxy-5-methoxyphenyl)pentanamide
PubChem CID107570852
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name(2S)-2-amino-N-(2-hydroxy-5-methoxyphenyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1cc(OC)ccc1O
InChIInChI=1S/C12H18N2O3/c1-3-4-9(13)12(16)14-10-7-8(17-2)5-6-11(10)15/h5-7,9,15H,3-4,13H2,1-2H3,(H,14,16)/t9-/m0/s1
InChIKeyMBOCJOPRQOUZBX-VIFPVBQESA-N
XLogP1.47
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(2-chloro-5-methoxyphenyl)pentanamide
CID 107569473
(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
2-amino-N-(4-methoxy-2-methylphenyl)hexanamide
CID 62871713
3-(ethylamino)-N-(2-hydroxy-5-methoxyphenyl)-2-methylpropanamide
CID 102695614
(2R)-2-amino-N-(2,5-diethoxyphenyl)pentanamide
CID 103794070
2-[(2-amino-4-methoxybutanoyl)amino]-4-methoxybenzoic acid
CID 115411605
2-amino-N-(2-chloro-5-methoxyphenyl)-5-methoxypentanamide
CID 81089395
2-amino-3-methoxy-N-(5-methoxy-2-methylphenyl)propanamide
CID 114252735
2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-4-methoxybenzoic acid
CID 104908879
2-[[(2R)-2-aminopentanoyl]amino]-4,5-dimethoxybenzoic acid
CID 103870871

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxy-5-methoxyphenyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxy-5-methoxyphenyl)pentanamide (CID 107570852) is (2S)-2-amino-N-(2-hydroxy-5-methoxyphenyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxy-5-methoxyphenyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxy-5-methoxyphenyl)pentanamide is CCC[C@H](N)C(=O)Nc1cc(OC)ccc1O.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxy-5-methoxyphenyl)pentanamide?
The InChIKey is MBOCJOPRQOUZBX-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-4-9(13)12(16)14-10-7-8(17-2)5-6-11(10)15/h5-7,9,15H,3-4,13H2,1-2H3,(H,14,16)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxy-5-methoxyphenyl)pentanamide?
(2S)-2-amino-N-(2-hydroxy-5-methoxyphenyl)pentanamide has a molecular weight of 238.29 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-hydroxy-5-methoxyphenyl)pentanamide is sourced from PubChem (CID 107570852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).