methyl 2-methyl-4-(3-methylbutylamino)pentanoate

C12H25NO2 — CID 104645991

IUPACmethyl 2-methyl-4-(3-methylbutylamino)pentanoate
SMILESCOC(=O)C(C)CC(C)NCCC(C)C
InChIInChI=1S/C12H25NO2/c1-9(2)6-7-13-11(4)8-10(3)12(14)15-5/h9-11,13H,6-8H2,1-5H3
InChIKeyLVNVYCMHWJLFHE-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.21
Rot. Bonds7

About methyl 2-methyl-4-(3-methylbutylamino)pentanoate

methyl 2-methyl-4-(3-methylbutylamino)pentanoate (PubChem CID 104645991) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is methyl 2-methyl-4-(3-methylbutylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-(3-methylbutylamino)pentanoate
PubChem CID104645991
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Namemethyl 2-methyl-4-(3-methylbutylamino)pentanoate
SMILESCOC(=O)C(C)CC(C)NCCC(C)C
InChIInChI=1S/C12H25NO2/c1-9(2)6-7-13-11(4)8-10(3)12(14)15-5/h9-11,13H,6-8H2,1-5H3
InChIKeyLVNVYCMHWJLFHE-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2,6-dimethylpiperidine-4-carboxylate
CID 23553380
Methyl 2,2-dimethylpiperidine-4-carboxylate
CID 84075524
rac-methyl (2R,4R)-2-methylpiperidine-4-carboxylate hydrochloride
CID 86811247
Methyl (1s,3s)-3-(methylamino)cyclobutane-1-carboxylate hydrochloride
CID 122164414
Methyl 4-methyl-2-(methylamino)pentanoate
CID 523517
Methyl 2,6-dimethylpiperidine-4-carboxylate hydrochloride
CID 124222703
rac-methyl (2R,4S,5S)-2,5-dimethylpiperidine-4-carboxylate hydrochloride
CID 146082536
methyl (2S)-4-methyl-2-(methylamino)pentanoate
CID 10921446
1-Methylethyl cis-3-(methylamino)cyclobutanecarboxylate
CID 146294428
(2R,3R)-Methyl 2-isopropylpyrrolidine-3-carboxylate
CID 11252266
cis-Methyl 2-methylpiperidine-4-carboxylate
CID 49837674
Methyl 3-(methylamino)cyclobutane-1-carboxylate
CID 122164415

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-(3-methylbutylamino)pentanoate?
The IUPAC name of methyl 2-methyl-4-(3-methylbutylamino)pentanoate (CID 104645991) is methyl 2-methyl-4-(3-methylbutylamino)pentanoate.
What is the SMILES notation for methyl 2-methyl-4-(3-methylbutylamino)pentanoate?
The canonical SMILES for methyl 2-methyl-4-(3-methylbutylamino)pentanoate is COC(=O)C(C)CC(C)NCCC(C)C.
What is the InChIKey of methyl 2-methyl-4-(3-methylbutylamino)pentanoate?
The InChIKey is LVNVYCMHWJLFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(2)6-7-13-11(4)8-10(3)12(14)15-5/h9-11,13H,6-8H2,1-5H3.
What are the key properties of methyl 2-methyl-4-(3-methylbutylamino)pentanoate?
methyl 2-methyl-4-(3-methylbutylamino)pentanoate has a molecular weight of 215.34 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-(3-methylbutylamino)pentanoate is sourced from PubChem (CID 104645991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).