methyl 3-[3-(2-hydroxyethoxy)propylamino]-2-methylbutanoate

C11H23NO4 — CID 106305528

IUPACmethyl 3-[3-(2-hydroxyethoxy)propylamino]-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)NCCCOCCO
InChIInChI=1S/C11H23NO4/c1-9(11(14)15-3)10(2)12-5-4-7-16-8-6-13/h9-10,12-13H,4-8H2,1-3H3
InChIKeyPYZFNUCLELOIIA-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.17
Rot. Bonds9

About methyl 3-[3-(2-hydroxyethoxy)propylamino]-2-methylbutanoate

methyl 3-[3-(2-hydroxyethoxy)propylamino]-2-methylbutanoate (PubChem CID 106305528) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 3-[3-(2-hydroxyethoxy)propylamino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-[3-(2-hydroxyethoxy)propylamino]-2-methylbutanoate
PubChem CID106305528
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Namemethyl 3-[3-(2-hydroxyethoxy)propylamino]-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)NCCCOCCO
InChIInChI=1S/C11H23NO4/c1-9(11(14)15-3)10(2)12-5-4-7-16-8-6-13/h9-10,12-13H,4-8H2,1-3H3
InChIKeyPYZFNUCLELOIIA-UHFFFAOYSA-N
XLogP0.17
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1,1-dimethoxypropan-2-ylamino)propoxy]ethanol
CID 106309355
ethyl 3-[3-(2-hydroxyethoxy)propylamino]butanoate
CID 106305458
methyl 2-methyl-3-(octylamino)butanoate
CID 115567614
methyl 2-[3-(2-methoxyethoxy)propylamino]propanoate
CID 66173501
2-[3-(2-hydroxyethoxy)propylamino]butanamide
CID 106309792
N,N-diethyl-2-[3-(2-hydroxyethoxy)propylamino]propanamide
CID 114171795
(2R)-2-[3-(2-methoxyethoxy)propylamino]propanoic acid
CID 103410935
3-[3-(2-hydroxyethoxy)propylamino]-2-methyl-3-oxopropanoic acid
CID 106307494
methyl 3-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methylbutanoate
CID 106147126
2-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide
CID 106310631
2-[3-(2-hydroxyethoxy)propylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106309732
methyl 2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]propanoate
CID 104561977

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(2-hydroxyethoxy)propylamino]-2-methylbutanoate?
The IUPAC name of methyl 3-[3-(2-hydroxyethoxy)propylamino]-2-methylbutanoate (CID 106305528) is methyl 3-[3-(2-hydroxyethoxy)propylamino]-2-methylbutanoate.
What is the SMILES notation for methyl 3-[3-(2-hydroxyethoxy)propylamino]-2-methylbutanoate?
The canonical SMILES for methyl 3-[3-(2-hydroxyethoxy)propylamino]-2-methylbutanoate is COC(=O)C(C)C(C)NCCCOCCO.
What is the InChIKey of methyl 3-[3-(2-hydroxyethoxy)propylamino]-2-methylbutanoate?
The InChIKey is PYZFNUCLELOIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-9(11(14)15-3)10(2)12-5-4-7-16-8-6-13/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of methyl 3-[3-(2-hydroxyethoxy)propylamino]-2-methylbutanoate?
methyl 3-[3-(2-hydroxyethoxy)propylamino]-2-methylbutanoate has a molecular weight of 233.31 g/mol, XLogP of 0.17, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(2-hydroxyethoxy)propylamino]-2-methylbutanoate is sourced from PubChem (CID 106305528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).