methyl 2-(cyclopropylamino)-4-(2-methylbutan-2-yloxy)butanoate

C13H25NO3 — CID 63040216

IUPACmethyl 2-(cyclopropylamino)-4-(2-methylbutan-2-yloxy)butanoate
SMILESCCC(C)(C)OCCC(NC1CC1)C(=O)OC
InChIInChI=1S/C13H25NO3/c1-5-13(2,3)17-9-8-11(12(15)16-4)14-10-6-7-10/h10-11,14H,5-9H2,1-4H3
InChIKeyOJCJQRNRUMYXEU-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.88
Rot. Bonds8

About methyl 2-(cyclopropylamino)-4-(2-methylbutan-2-yloxy)butanoate

methyl 2-(cyclopropylamino)-4-(2-methylbutan-2-yloxy)butanoate (PubChem CID 63040216) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-4-(2-methylbutan-2-yloxy)butanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-4-(2-methylbutan-2-yloxy)butanoate
PubChem CID63040216
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Namemethyl 2-(cyclopropylamino)-4-(2-methylbutan-2-yloxy)butanoate
SMILESCCC(C)(C)OCCC(NC1CC1)C(=O)OC
InChIInChI=1S/C13H25NO3/c1-5-13(2,3)17-9-8-11(12(15)16-4)14-10-6-7-10/h10-11,14H,5-9H2,1-4H3
InChIKeyOJCJQRNRUMYXEU-UHFFFAOYSA-N
XLogP1.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclopropylamino)-4-[(2-methylpropan-2-yl)oxy]butanoate
CID 63041148
methyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate
CID 106675932
methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate
CID 63041385
methyl 2-(oxan-4-ylamino)hexanoate
CID 103830638
methyl 2-(cyclopropylamino)-4-(2-methylcyclohexyl)oxybutanoate
CID 63041162
methyl 2-(cyclopentylamino)nonanoate
CID 54894298
methyl 2-(cyclopropylamino)-4-(3-methoxypropylsulfanyl)butanoate
CID 55261700
methyl 2-(cyclopropylamino)-4-(3-phenylpropoxy)butanoate
CID 63034786
ethyl 2-(cyclopropylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanoate
CID 66274848
ethyl 2-(cyclopropylamino)-4-(oxan-4-yloxy)butanoate
CID 55144526
methyl 4-[butyl(cyclopropyl)amino]-2-(cyclopropylamino)butanoate
CID 55142969
methyl 2-(cyclopropylamino)-4-(3-hydroxypropylsulfanyl)butanoate
CID 66125970

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-4-(2-methylbutan-2-yloxy)butanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-4-(2-methylbutan-2-yloxy)butanoate (CID 63040216) is methyl 2-(cyclopropylamino)-4-(2-methylbutan-2-yloxy)butanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-4-(2-methylbutan-2-yloxy)butanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-4-(2-methylbutan-2-yloxy)butanoate is CCC(C)(C)OCCC(NC1CC1)C(=O)OC.
What is the InChIKey of methyl 2-(cyclopropylamino)-4-(2-methylbutan-2-yloxy)butanoate?
The InChIKey is OJCJQRNRUMYXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-5-13(2,3)17-9-8-11(12(15)16-4)14-10-6-7-10/h10-11,14H,5-9H2,1-4H3.
What are the key properties of methyl 2-(cyclopropylamino)-4-(2-methylbutan-2-yloxy)butanoate?
methyl 2-(cyclopropylamino)-4-(2-methylbutan-2-yloxy)butanoate has a molecular weight of 243.35 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-4-(2-methylbutan-2-yloxy)butanoate is sourced from PubChem (CID 63040216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).