methyl 2-methyl-4-(2-methylpropylamino)pentanoate

C11H23NO2 — CID 104645979

IUPACmethyl 2-methyl-4-(2-methylpropylamino)pentanoate
SMILESCOC(=O)C(C)CC(C)NCC(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)7-12-10(4)6-9(3)11(13)14-5/h8-10,12H,6-7H2,1-5H3
InChIKeyWOQMSQYGMFBALL-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.82
Rot. Bonds6

About methyl 2-methyl-4-(2-methylpropylamino)pentanoate

methyl 2-methyl-4-(2-methylpropylamino)pentanoate (PubChem CID 104645979) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl 2-methyl-4-(2-methylpropylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-(2-methylpropylamino)pentanoate
PubChem CID104645979
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl 2-methyl-4-(2-methylpropylamino)pentanoate
SMILESCOC(=O)C(C)CC(C)NCC(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)7-12-10(4)6-9(3)11(13)14-5/h8-10,12H,6-7H2,1-5H3
InChIKeyWOQMSQYGMFBALL-UHFFFAOYSA-N
XLogP1.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-4-(propan-2-ylamino)pentanoate
CID 104646065
methyl 4-(2-cyclopropylpropylamino)-2-methylpentanoate
CID 104646176
3-(2-methylpropylamino)butanamide
CID 90751378
methyl 4-[(2-methoxy-2-methylpropyl)amino]-2-methylpentanoate
CID 104646437
methyl 4-(2-chloroprop-2-enylamino)-2-methylpentanoate
CID 104646630
methyl 2-methyl-4-[[(E)-pent-3-enyl]amino]pentanoate
CID 104646363
methyl 2-methyl-4-(3-methylsulfanylpropylamino)pentanoate
CID 104646397
methyl (2S)-4-amino-2-methylpentanoate
CID 88911479
methyl 4-[(1-hydroxycyclobutyl)methylamino]-2-methylpentanoate
CID 104646340
methyl 4-(4-cyanobutylamino)-2-methylpentanoate
CID 104646277
CID 58391087
CID 58391087
methyl 4-amino-2-methyl-4-phosphanylbutanoate
CID 134574134

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-(2-methylpropylamino)pentanoate?
The IUPAC name of methyl 2-methyl-4-(2-methylpropylamino)pentanoate (CID 104645979) is methyl 2-methyl-4-(2-methylpropylamino)pentanoate.
What is the SMILES notation for methyl 2-methyl-4-(2-methylpropylamino)pentanoate?
The canonical SMILES for methyl 2-methyl-4-(2-methylpropylamino)pentanoate is COC(=O)C(C)CC(C)NCC(C)C.
What is the InChIKey of methyl 2-methyl-4-(2-methylpropylamino)pentanoate?
The InChIKey is WOQMSQYGMFBALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(2)7-12-10(4)6-9(3)11(13)14-5/h8-10,12H,6-7H2,1-5H3.
What are the key properties of methyl 2-methyl-4-(2-methylpropylamino)pentanoate?
methyl 2-methyl-4-(2-methylpropylamino)pentanoate has a molecular weight of 201.31 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-(2-methylpropylamino)pentanoate is sourced from PubChem (CID 104645979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).