2-[(4-hydroxy-3-methoxybenzoyl)amino]ethyl (2S,3S)-2-amino-3-methylpentanoate

C16H24N2O5 — CID 101136608

IUPAC2-[(4-hydroxy-3-methoxybenzoyl)amino]ethyl (2S,3S)-2-amino-3-methylpentanoate
SMILESCC[C@H](C)[C@H](N)C(=O)OCCNC(=O)c1ccc(O)c(OC)c1
InChIInChI=1S/C16H24N2O5/c1-4-10(2)14(17)16(21)23-8-7-18-15(20)11-5-6-12(19)13(9-11)22-3/h5-6,9-10,14,19H,4,7-8,17H2,1-3H3,(H,18,20)/t10-,14-/m0/s1
InChIKeyGBELGVLGCZZFIG-HZMBPMFUSA-N
MW324.38 g/mol
LogP1.05
Rot. Bonds8

About 2-[(4-hydroxy-3-methoxybenzoyl)amino]ethyl (2S,3S)-2-amino-3-methylpentanoate

2-[(4-hydroxy-3-methoxybenzoyl)amino]ethyl (2S,3S)-2-amino-3-methylpentanoate (PubChem CID 101136608) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[(4-hydroxy-3-methoxybenzoyl)amino]ethyl (2S,3S)-2-amino-3-methylpentanoate.

Molecular Properties

Compound Name2-[(4-hydroxy-3-methoxybenzoyl)amino]ethyl (2S,3S)-2-amino-3-methylpentanoate
PubChem CID101136608
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name2-[(4-hydroxy-3-methoxybenzoyl)amino]ethyl (2S,3S)-2-amino-3-methylpentanoate
SMILESCC[C@H](C)[C@H](N)C(=O)OCCNC(=O)c1ccc(O)c(OC)c1
InChIInChI=1S/C16H24N2O5/c1-4-10(2)14(17)16(21)23-8-7-18-15(20)11-5-6-12(19)13(9-11)22-3/h5-6,9-10,14,19H,4,7-8,17H2,1-3H3,(H,18,20)/t10-,14-/m0/s1
InChIKeyGBELGVLGCZZFIG-HZMBPMFUSA-N
XLogP1.05
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(4-hydroxy-3-methoxybenzoyl)amino]ethyl (2S,3S)-2-amino-3-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]ethyl (2S,3S)-2-amino-3-methylpentanoate
CID 101136611
N-hexyl-4-hydroxy-3-methoxybenzamide
CID 177108145
3-[(4-hydroxy-3-methoxybenzoyl)amino]propanoic acid
CID 68549525
N-(3-aminobutyl)-3,4-dimethoxybenzamide
CID 63253883
6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid
CID 54200792
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840
N-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide
CID 106122205
N-(4-aminopentyl)-3,4-dimethoxybenzamide
CID 106122930
4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide
CID 23652768
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
CID 79600016
N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride
CID 119703531
4-amino-3-methoxy-N-propylbenzamide
CID 67095444

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3-methoxybenzoyl)amino]ethyl (2S,3S)-2-amino-3-methylpentanoate?
The IUPAC name of 2-[(4-hydroxy-3-methoxybenzoyl)amino]ethyl (2S,3S)-2-amino-3-methylpentanoate (CID 101136608) is 2-[(4-hydroxy-3-methoxybenzoyl)amino]ethyl (2S,3S)-2-amino-3-methylpentanoate.
What is the SMILES notation for 2-[(4-hydroxy-3-methoxybenzoyl)amino]ethyl (2S,3S)-2-amino-3-methylpentanoate?
The canonical SMILES for 2-[(4-hydroxy-3-methoxybenzoyl)amino]ethyl (2S,3S)-2-amino-3-methylpentanoate is CC[C@H](C)[C@H](N)C(=O)OCCNC(=O)c1ccc(O)c(OC)c1.
What is the InChIKey of 2-[(4-hydroxy-3-methoxybenzoyl)amino]ethyl (2S,3S)-2-amino-3-methylpentanoate?
The InChIKey is GBELGVLGCZZFIG-HZMBPMFUSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-4-10(2)14(17)16(21)23-8-7-18-15(20)11-5-6-12(19)13(9-11)22-3/h5-6,9-10,14,19H,4,7-8,17H2,1-3H3,(H,18,20)/t10-,14-/m0/s1.
What are the key properties of 2-[(4-hydroxy-3-methoxybenzoyl)amino]ethyl (2S,3S)-2-amino-3-methylpentanoate?
2-[(4-hydroxy-3-methoxybenzoyl)amino]ethyl (2S,3S)-2-amino-3-methylpentanoate has a molecular weight of 324.38 g/mol, XLogP of 1.05, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3-methoxybenzoyl)amino]ethyl (2S,3S)-2-amino-3-methylpentanoate is sourced from PubChem (CID 101136608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).