methyl 3-[ethyl(2-hydroxyethyl)amino]-2-methylbutanoate

C10H21NO3 — CID 79407611

IUPACmethyl 3-[ethyl(2-hydroxyethyl)amino]-2-methylbutanoate
SMILESCCN(CCO)C(C)C(C)C(=O)OC
InChIInChI=1S/C10H21NO3/c1-5-11(6-7-12)9(3)8(2)10(13)14-4/h8-9,12H,5-7H2,1-4H3
InChIKeyCYPRRHZJOAYBTQ-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.50
Rot. Bonds6

About methyl 3-[ethyl(2-hydroxyethyl)amino]-2-methylbutanoate

methyl 3-[ethyl(2-hydroxyethyl)amino]-2-methylbutanoate (PubChem CID 79407611) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is methyl 3-[ethyl(2-hydroxyethyl)amino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl(2-hydroxyethyl)amino]-2-methylbutanoate
PubChem CID79407611
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Namemethyl 3-[ethyl(2-hydroxyethyl)amino]-2-methylbutanoate
SMILESCCN(CCO)C(C)C(C)C(=O)OC
InChIInChI=1S/C10H21NO3/c1-5-11(6-7-12)9(3)8(2)10(13)14-4/h8-9,12H,5-7H2,1-4H3
InChIKeyCYPRRHZJOAYBTQ-UHFFFAOYSA-N
XLogP0.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[ethyl(2-hydroxyethyl)amino]-2-methylbutanoate 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-(dimethylamino)ethyl-propylamino]-2-methylbutanoate
CID 79407897
methyl 3-[ethyl(propan-2-yl)amino]-2-methylbutanoate
CID 79407101
methyl 3-[2-hydroxyethyl(propan-2-yl)amino]-2-methylpropanoate
CID 60648030
3-[butyl(ethyl)amino]-2-methylbutanehydrazide
CID 79409321
methyl 3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-methylbutanoate
CID 79406836
methyl N-[1-[bis(2-hydroxyethyl)amino]propyl]carbamate
CID 139628519
methyl (2R)-2-(diethylamino)butanoate
CID 30030921
ethyl 2-[ethyl(2-hydroxyethyl)amino]pentanoate
CID 115282631
2-[ethyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide
CID 60686110
2-[ethyl(2-hydroxyethyl)amino]butanamide
CID 62900659
methyl (2S,3S)-3-amino-2-methylbutanoate
CID 55285448
2-[ethyl(2-hydroxyethyl)amino]-N-(2-methylpropyl)propanamide
CID 60686188

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(2-hydroxyethyl)amino]-2-methylbutanoate?
The IUPAC name of methyl 3-[ethyl(2-hydroxyethyl)amino]-2-methylbutanoate (CID 79407611) is methyl 3-[ethyl(2-hydroxyethyl)amino]-2-methylbutanoate.
What is the SMILES notation for methyl 3-[ethyl(2-hydroxyethyl)amino]-2-methylbutanoate?
The canonical SMILES for methyl 3-[ethyl(2-hydroxyethyl)amino]-2-methylbutanoate is CCN(CCO)C(C)C(C)C(=O)OC.
What is the InChIKey of methyl 3-[ethyl(2-hydroxyethyl)amino]-2-methylbutanoate?
The InChIKey is CYPRRHZJOAYBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-5-11(6-7-12)9(3)8(2)10(13)14-4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of methyl 3-[ethyl(2-hydroxyethyl)amino]-2-methylbutanoate?
methyl 3-[ethyl(2-hydroxyethyl)amino]-2-methylbutanoate has a molecular weight of 203.28 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(2-hydroxyethyl)amino]-2-methylbutanoate is sourced from PubChem (CID 79407611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).