2,3-dimethyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoic acid

C11H19NO3 — CID 115910203

IUPAC2,3-dimethyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
SMILESCC1CC1C(=O)NC(C)(C(=O)O)C(C)C
InChIInChI=1S/C11H19NO3/c1-6(2)11(4,10(14)15)12-9(13)8-5-7(8)3/h6-8H,5H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyQQWMKUGXIVMYDL-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.26
Rot. Bonds4

About 2,3-dimethyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoic acid

2,3-dimethyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoic acid (PubChem CID 115910203) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2,3-dimethyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
PubChem CID115910203
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2,3-dimethyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
SMILESCC1CC1C(=O)NC(C)(C(=O)O)C(C)C
InChIInChI=1S/C11H19NO3/c1-6(2)11(4,10(14)15)12-9(13)8-5-7(8)3/h6-8H,5H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyQQWMKUGXIVMYDL-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 103895464
trans-(1R,2R)-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 130725617
(2S)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 61131550
(3R)-3-methyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]pentanoic acid
CID 129446298
N-(4-hydroxy-2-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 115870127
2-hydroxy-2-methyl-3-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 66172151
2,3-dimethyl-2-(3-methylbutanoylamino)butanoic acid
CID 115910241
3-methyl-2-[(2-methylcyclopropanecarbonyl)amino]-3-sulfanylbutanoic acid
CID 16775068
2-(cyclopentylamino)-2,3-dimethylbutanoic acid
CID 62488797
(2S,3R)-3-hydroxy-2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]butanoic acid
CID 93098157
cis-(1S,2R)-2-methyl-N-(2-methylpropylsulfonyl)cyclopropane-1-carboxamide
CID 97022980
N-(1-bromo-2-phenylpropan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 105059964

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoic acid?
The IUPAC name of 2,3-dimethyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoic acid (CID 115910203) is 2,3-dimethyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoic acid.
What is the SMILES notation for 2,3-dimethyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoic acid?
The canonical SMILES for 2,3-dimethyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoic acid is CC1CC1C(=O)NC(C)(C(=O)O)C(C)C.
What is the InChIKey of 2,3-dimethyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoic acid?
The InChIKey is QQWMKUGXIVMYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-6(2)11(4,10(14)15)12-9(13)8-5-7(8)3/h6-8H,5H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 2,3-dimethyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoic acid?
2,3-dimethyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoic acid is sourced from PubChem (CID 115910203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).