methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanoate

C10H21NO3 — CID 62026400

IUPACmethyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanoate
SMILESCCN(CCC(=O)OC)CC(C)(C)O
InChIInChI=1S/C10H21NO3/c1-5-11(8-10(2,3)13)7-6-9(12)14-4/h13H,5-8H2,1-4H3
InChIKeyPWVRWFQKZUKDNL-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.64
Rot. Bonds6

About methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanoate

methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanoate (PubChem CID 62026400) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanoate
PubChem CID62026400
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Namemethyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanoate
SMILESCCN(CCC(=O)OC)CC(C)(C)O
InChIInChI=1S/C10H21NO3/c1-5-11(8-10(2,3)13)7-6-9(12)14-4/h13H,5-8H2,1-4H3
InChIKeyPWVRWFQKZUKDNL-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2-hydroxy-2-methylpropyl)-(2-methoxyethyl)amino]propanoate
CID 115536395
methyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 62028503
methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
dimethyl butanedioate;2-methylbutan-2-ol
CID 174977208
methyl 3-[ethyl(2-hydroxypropyl)amino]propanoate
CID 62026208
6-[ethyl-(2-hydroxy-2-methylpropyl)amino]hexan-3-one
CID 106801517
methyl 3-[(4-cyano-4-methylpentyl)-ethylamino]propanoate
CID 65254927
methyl 3-[but-3-ynyl(ethyl)amino]propanoate
CID 62027913
methyl 3-[ethyl(hydroxy)amino]propanoate
CID 131223407
3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid
CID 172719871
3-[2,2-dimethylpropyl(ethyl)amino]propanoic acid
CID 58066359
N-cyclohexyl-3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide
CID 78964192

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanoate (CID 62026400) is methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanoate is CCN(CCC(=O)OC)CC(C)(C)O.
What is the InChIKey of methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanoate?
The InChIKey is PWVRWFQKZUKDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-5-11(8-10(2,3)13)7-6-9(12)14-4/h13H,5-8H2,1-4H3.
What are the key properties of methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanoate?
methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanoate has a molecular weight of 203.28 g/mol, XLogP of 0.64, 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-hydroxy-2-methylpropyl)amino]propanoate is sourced from PubChem (CID 62026400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).