methyl 3-methyl-2-[(3-methylcyclobutyl)amino]butanoate

C11H21NO2 — CID 103561043

IUPACmethyl 3-methyl-2-[(3-methylcyclobutyl)amino]butanoate
SMILESCOC(=O)C(NC1CC(C)C1)C(C)C
InChIInChI=1S/C11H21NO2/c1-7(2)10(11(13)14-4)12-9-5-8(3)6-9/h7-10,12H,5-6H2,1-4H3
InChIKeyDUMHLDCUHNFKNE-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.57
Rot. Bonds4

About methyl 3-methyl-2-[(3-methylcyclobutyl)amino]butanoate

methyl 3-methyl-2-[(3-methylcyclobutyl)amino]butanoate (PubChem CID 103561043) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 3-methyl-2-[(3-methylcyclobutyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[(3-methylcyclobutyl)amino]butanoate
PubChem CID103561043
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 3-methyl-2-[(3-methylcyclobutyl)amino]butanoate
SMILESCOC(=O)C(NC1CC(C)C1)C(C)C
InChIInChI=1S/C11H21NO2/c1-7(2)10(11(13)14-4)12-9-5-8(3)6-9/h7-10,12H,5-6H2,1-4H3
InChIKeyDUMHLDCUHNFKNE-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3,5-dimethylcyclohexyl)amino]-3-methylpentanoate
CID 64753370
methyl (2S)-3-methyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]butanoate
CID 61142568
methyl (2S)-2-(2-adamantylamino)-3-methylbutanoate
CID 43422948
methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-methylbutanoate
CID 83262149
methyl 3-methyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoate
CID 43422631
methyl 3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]butanoate
CID 5027485
3-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]butanamide
CID 106344401
methyl 2-hydrazinyl-3-methylbutanoate
CID 55279143
methyl (2S)-2-(cyclopropylcarbamoylamino)-3-methylbutanoate
CID 944987
methyl 2-(cyclopropylcarbamoylamino)-3-methylbutanoate
CID 5218445
methyl (2R)-3-methyl-2-(propan-2-ylamino)butanoate
CID 59435909
N-(3-methoxybutan-2-yl)-3-methylcyclobutan-1-amine
CID 115892458

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[(3-methylcyclobutyl)amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[(3-methylcyclobutyl)amino]butanoate (CID 103561043) is methyl 3-methyl-2-[(3-methylcyclobutyl)amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[(3-methylcyclobutyl)amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[(3-methylcyclobutyl)amino]butanoate is COC(=O)C(NC1CC(C)C1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[(3-methylcyclobutyl)amino]butanoate?
The InChIKey is DUMHLDCUHNFKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-7(2)10(11(13)14-4)12-9-5-8(3)6-9/h7-10,12H,5-6H2,1-4H3.
What are the key properties of methyl 3-methyl-2-[(3-methylcyclobutyl)amino]butanoate?
methyl 3-methyl-2-[(3-methylcyclobutyl)amino]butanoate has a molecular weight of 199.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[(3-methylcyclobutyl)amino]butanoate is sourced from PubChem (CID 103561043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).