methyl 2-hydroxy-3-(1-methoxypentan-2-ylamino)-2-methylpropanoate

C11H23NO4 — CID 104644556

IUPACmethyl 2-hydroxy-3-(1-methoxypentan-2-ylamino)-2-methylpropanoate
SMILESCCCC(COC)NCC(C)(O)C(=O)OC
InChIInChI=1S/C11H23NO4/c1-5-6-9(7-15-3)12-8-11(2,14)10(13)16-4/h9,12,14H,5-8H2,1-4H3
InChIKeyZPOKNSDCSXOWLJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.32
Rot. Bonds8

About methyl 2-hydroxy-3-(1-methoxypentan-2-ylamino)-2-methylpropanoate

methyl 2-hydroxy-3-(1-methoxypentan-2-ylamino)-2-methylpropanoate (PubChem CID 104644556) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 2-hydroxy-3-(1-methoxypentan-2-ylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-(1-methoxypentan-2-ylamino)-2-methylpropanoate
PubChem CID104644556
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Namemethyl 2-hydroxy-3-(1-methoxypentan-2-ylamino)-2-methylpropanoate
SMILESCCCC(COC)NCC(C)(O)C(=O)OC
InChIInChI=1S/C11H23NO4/c1-5-6-9(7-15-3)12-8-11(2,14)10(13)16-4/h9,12,14H,5-8H2,1-4H3
InChIKeyZPOKNSDCSXOWLJ-UHFFFAOYSA-N
XLogP0.32
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-hydroxy-3-(1-methoxypentan-2-ylamino)-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 2-hydroxy-2-methyl-3-(pentan-2-ylamino)propanoate
CID 104643624
methyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate
CID 104643639
2-hydroxy-N-(1-methoxypentan-2-yl)-2-methylpropanamide
CID 103430087
1-(heptan-4-ylamino)-4-methoxy-2-methylbutan-2-ol
CID 103729745
methyl 2-hydroxy-3-(4-hydroxybutan-2-ylamino)-2-methylpropanoate
CID 104644967
methyl 2-hydroxy-3-[(3-methoxy-2-methylpropyl)amino]-2-methylpropanoate
CID 104644316
methyl N-(1-methoxypentan-2-yl)carbamate
CID 116656283
methyl 2-hydroxy-3-(5-hydroxypentan-2-ylamino)-2-methylpropanoate
CID 104644757
3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethylpropanoic acid
CID 106159803
2-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid
CID 104644611
(Z)-2-ethyl-4-(1-methoxypentan-2-ylamino)but-2-enoic acid
CID 103253623
tert-butyl N-[4-[(2-hydroxy-2-methylpropyl)amino]-5-methoxypentyl]carbamate
CID 103390147

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-(1-methoxypentan-2-ylamino)-2-methylpropanoate?
The IUPAC name of methyl 2-hydroxy-3-(1-methoxypentan-2-ylamino)-2-methylpropanoate (CID 104644556) is methyl 2-hydroxy-3-(1-methoxypentan-2-ylamino)-2-methylpropanoate.
What is the SMILES notation for methyl 2-hydroxy-3-(1-methoxypentan-2-ylamino)-2-methylpropanoate?
The canonical SMILES for methyl 2-hydroxy-3-(1-methoxypentan-2-ylamino)-2-methylpropanoate is CCCC(COC)NCC(C)(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-3-(1-methoxypentan-2-ylamino)-2-methylpropanoate?
The InChIKey is ZPOKNSDCSXOWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-5-6-9(7-15-3)12-8-11(2,14)10(13)16-4/h9,12,14H,5-8H2,1-4H3.
What are the key properties of methyl 2-hydroxy-3-(1-methoxypentan-2-ylamino)-2-methylpropanoate?
methyl 2-hydroxy-3-(1-methoxypentan-2-ylamino)-2-methylpropanoate has a molecular weight of 233.31 g/mol, XLogP of 0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-(1-methoxypentan-2-ylamino)-2-methylpropanoate is sourced from PubChem (CID 104644556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).