3-[(2,2-dimethylcyclopropanecarbonyl)-methylamino]-2-methylpropanoic acid

C11H19NO3 — CID 106703400

IUPAC3-[(2,2-dimethylcyclopropanecarbonyl)-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)C1CC1(C)C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-7(10(14)15)6-12(4)9(13)8-5-11(8,2)3/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyCDGIZLVZWMHMJN-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.21
Rot. Bonds4

About 3-[(2,2-dimethylcyclopropanecarbonyl)-methylamino]-2-methylpropanoic acid

3-[(2,2-dimethylcyclopropanecarbonyl)-methylamino]-2-methylpropanoic acid (PubChem CID 106703400) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[(2,2-dimethylcyclopropanecarbonyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2,2-dimethylcyclopropanecarbonyl)-methylamino]-2-methylpropanoic acid
PubChem CID106703400
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-[(2,2-dimethylcyclopropanecarbonyl)-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)C1CC1(C)C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-7(10(14)15)6-12(4)9(13)8-5-11(8,2)3/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyCDGIZLVZWMHMJN-UHFFFAOYSA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2,2-trimethylcyclopropane-1-carboxamide
CID 107002899
(1S)-N-[(2S)-2,3-dihydroxypropyl]-N,2,2-trimethylcyclopropane-1-carboxamide
CID 136580888
3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 81362050
(1S)-N-ethyl-N,2,2-trimethylcyclopropane-1-carboxamide
CID 131110445
N-(2-bromo-3-methoxypropyl)-N,2,2-trimethylcyclopropane-1-carboxamide
CID 107003215
2-methyl-3-[methyl(thiane-4-carbonyl)amino]propanoic acid
CID 110837236
2-methyl-3-[methyl-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]amino]propanoic acid
CID 103968098
3-[(2,2-dicyclopropylacetyl)-methylamino]-2-methylpropanoic acid
CID 120524386
methyl 3-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]-2-methylpropanoate
CID 104919723
2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 83192789
2-methyl-3-[methyl-[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 62032283
N-(2-hydroxypropyl)-N,2,2-trimethylcyclopentane-1-carboxamide
CID 104918373

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylcyclopropanecarbonyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2,2-dimethylcyclopropanecarbonyl)-methylamino]-2-methylpropanoic acid (CID 106703400) is 3-[(2,2-dimethylcyclopropanecarbonyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2,2-dimethylcyclopropanecarbonyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2,2-dimethylcyclopropanecarbonyl)-methylamino]-2-methylpropanoic acid is CC(CN(C)C(=O)C1CC1(C)C)C(=O)O.
What is the InChIKey of 3-[(2,2-dimethylcyclopropanecarbonyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is CDGIZLVZWMHMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7(10(14)15)6-12(4)9(13)8-5-11(8,2)3/h7-8H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 3-[(2,2-dimethylcyclopropanecarbonyl)-methylamino]-2-methylpropanoic acid?
3-[(2,2-dimethylcyclopropanecarbonyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylcyclopropanecarbonyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 106703400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).