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

C11H19NO3 — CID 43422631

IUPACmethyl 3-methyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoate
SMILESCOC(=O)C(NC(=O)C1CC1C)C(C)C
InChIInChI=1S/C11H19NO3/c1-6(2)9(11(14)15-4)12-10(13)8-5-7(8)3/h6-9H,5H2,1-4H3,(H,12,13)
InChIKeyBMBGNSAEDIERKB-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.96
Rot. Bonds4

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

methyl 3-methyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoate (PubChem CID 43422631) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 3-methyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoate
PubChem CID43422631
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 3-methyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoate
SMILESCOC(=O)C(NC(=O)C1CC1C)C(C)C
InChIInChI=1S/C11H19NO3/c1-6(2)9(11(14)15-4)12-10(13)8-5-7(8)3/h6-9H,5H2,1-4H3,(H,12,13)
InChIKeyBMBGNSAEDIERKB-UHFFFAOYSA-N
XLogP0.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S,3S)-3-methyl-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]pentanoate
CID 124824414
methyl (2S)-2-[[(3R,4R)-4-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-3-carbonyl]amino]-3-methylbutanoate
CID 163573089
(1S,6R)-6-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962121
methyl 4-methyl-2-[(2-methylcyclopropanecarbonyl)amino]pentanoate
CID 43404380
(2S,3R)-3-hydroxy-2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]butanoic acid
CID 93098157
methyl 3-methyl-2-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]butanoate
CID 104622523
trans-(1S,2S)-N-(1-amino-1-oxopropan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 127011730
methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(1S,2R,3S,4R)-3-[[(2S)-1-[[(2S)-1-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate
CID 100916154
methyl 3-methyl-2-(oxolane-2-carbonylamino)butanoate
CID 19010953
(2S)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 61131550
methyl 3-methyl-2-[(3-methylcyclobutyl)amino]butanoate
CID 103561043
methyl 3-methyl-2-(1,3-thiazolidine-4-carbonylamino)butanoate
CID 60780380

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoate (CID 43422631) is methyl 3-methyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoate is COC(=O)C(NC(=O)C1CC1C)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoate?
The InChIKey is BMBGNSAEDIERKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-6(2)9(11(14)15-4)12-10(13)8-5-7(8)3/h6-9H,5H2,1-4H3,(H,12,13).
What are the key properties of methyl 3-methyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoate?
methyl 3-methyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoate has a molecular weight of 213.28 g/mol, XLogP of 0.96, 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-[(2-methylcyclopropanecarbonyl)amino]butanoate is sourced from PubChem (CID 43422631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).