methyl 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpropanoate

C10H21NO4 — CID 106246638

IUPACmethyl 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpropanoate
SMILESCOCC(O)CCNCC(C)C(=O)OC
InChIInChI=1S/C10H21NO4/c1-8(10(13)15-3)6-11-5-4-9(12)7-14-2/h8-9,11-12H,4-7H2,1-3H3
InChIKeyAAEXADZBGDTUDN-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.22
Rot. Bonds8

About methyl 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpropanoate

methyl 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpropanoate (PubChem CID 106246638) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpropanoate
PubChem CID106246638
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Namemethyl 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpropanoate
SMILESCOCC(O)CCNCC(C)C(=O)OC
InChIInChI=1S/C10H21NO4/c1-8(10(13)15-3)6-11-5-4-9(12)7-14-2/h8-9,11-12H,4-7H2,1-3H3
InChIKeyAAEXADZBGDTUDN-UHFFFAOYSA-N
XLogP-0.22
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpropanoate 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

methyl 3-(2-hydroxyethylamino)-2-methylpropanoate
CID 43398406
methyl 3-[(5-hydroxy-4-methylpentyl)amino]-2-methylpropanoate
CID 106160216
methyl 2-methyl-3-(5-methylhexylamino)propanoate
CID 115325726
N-(3-hydroxy-4-methoxybutyl)formamide
CID 106243326
methyl (2S)-3-[2-(dimethylamino)ethylamino]-2-methylpropanoate
CID 93035177
methyl 3-(ethylamino)-2-methylpropanoate
CID 3889298
1-methoxy-4-(2-phenylpropylamino)butan-2-ol
CID 107095218
methyl 3-[(5-amino-5-oxopentyl)amino]-2-methylpropanoate
CID 106237219
N-tert-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetamide
CID 106246865
2-[[(3-hydroxy-4-methoxybutyl)amino]methyl]prop-2-enoic acid
CID 106248282
5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]thiophene-3-carboxamide
CID 103876396
methyl (2R)-3-[3-(dimethylamino)propylamino]-2-methylpropanoate
CID 93035176

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpropanoate (CID 106246638) is methyl 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpropanoate is COCC(O)CCNCC(C)C(=O)OC.
What is the InChIKey of methyl 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpropanoate?
The InChIKey is AAEXADZBGDTUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-8(10(13)15-3)6-11-5-4-9(12)7-14-2/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of methyl 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpropanoate?
methyl 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpropanoate has a molecular weight of 219.28 g/mol, XLogP of -0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpropanoate is sourced from PubChem (CID 106246638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).