methyl 4-methoxy-2-(propan-2-ylamino)butanoate

C9H19NO3 — CID 63038753

IUPACmethyl 4-methoxy-2-(propan-2-ylamino)butanoate
SMILESCOCCC(NC(C)C)C(=O)OC
InChIInChI=1S/C9H19NO3/c1-7(2)10-8(5-6-12-3)9(11)13-4/h7-8,10H,5-6H2,1-4H3
InChIKeyAEPFVSKODMGWJO-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.56
Rot. Bonds6

About methyl 4-methoxy-2-(propan-2-ylamino)butanoate

methyl 4-methoxy-2-(propan-2-ylamino)butanoate (PubChem CID 63038753) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is methyl 4-methoxy-2-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-methoxy-2-(propan-2-ylamino)butanoate
PubChem CID63038753
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Namemethyl 4-methoxy-2-(propan-2-ylamino)butanoate
SMILESCOCCC(NC(C)C)C(=O)OC
InChIInChI=1S/C9H19NO3/c1-7(2)10-8(5-6-12-3)9(11)13-4/h7-8,10H,5-6H2,1-4H3
InChIKeyAEPFVSKODMGWJO-UHFFFAOYSA-N
XLogP0.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-2-(propan-2-ylamino)butanoate
CID 105435859
methyl 4-hydroxy-2-(propan-2-ylamino)butanoate
CID 105436141
methyl 4-cycloheptyloxy-2-(propan-2-ylamino)butanoate
CID 55143758
methyl 4-hexoxy-2-(propan-2-ylamino)butanoate
CID 55145691
methyl 2-(ethylamino)-4-methoxybutanoate
CID 63041387
methyl 4-methyl-2-(propan-2-ylamino)pentanoate
CID 43230583
methyl 4-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)butanoate
CID 114342050
methyl 4-(4-methylphenoxy)-2-(propan-2-ylamino)butanoate
CID 55142996
4-[2-(3-methoxypropoxy)ethoxy]-2-(propan-2-ylamino)butanamide
CID 103180074
methyl 4-(azocan-1-yl)-2-(propan-2-ylamino)butanoate
CID 63027769
methyl 4-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)butanoate
CID 55144289
methyl 2-(propan-2-ylamino)-4-[propan-2-yl(propyl)amino]butanoate
CID 63028441

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-2-(propan-2-ylamino)butanoate?
The IUPAC name of methyl 4-methoxy-2-(propan-2-ylamino)butanoate (CID 63038753) is methyl 4-methoxy-2-(propan-2-ylamino)butanoate.
What is the SMILES notation for methyl 4-methoxy-2-(propan-2-ylamino)butanoate?
The canonical SMILES for methyl 4-methoxy-2-(propan-2-ylamino)butanoate is COCCC(NC(C)C)C(=O)OC.
What is the InChIKey of methyl 4-methoxy-2-(propan-2-ylamino)butanoate?
The InChIKey is AEPFVSKODMGWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-7(2)10-8(5-6-12-3)9(11)13-4/h7-8,10H,5-6H2,1-4H3.
What are the key properties of methyl 4-methoxy-2-(propan-2-ylamino)butanoate?
methyl 4-methoxy-2-(propan-2-ylamino)butanoate has a molecular weight of 189.25 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-2-(propan-2-ylamino)butanoate is sourced from PubChem (CID 63038753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).