2-methyl-1-(methylamino)cyclopropane-1-carboxylic acid

C6H11NO2 — CID 4627778

IUPAC2-methyl-1-(methylamino)cyclopropane-1-carboxylic acid
SMILESCNC1(C(=O)O)CC1C
InChIInChI=1S/C6H11NO2/c1-4-3-6(4,7-2)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)
InChIKeyDYSUVIPLCIOCKL-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.07
Rot. Bonds2

About 2-methyl-1-(methylamino)cyclopropane-1-carboxylic acid

2-methyl-1-(methylamino)cyclopropane-1-carboxylic acid (PubChem CID 4627778) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-methyl-1-(methylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(methylamino)cyclopropane-1-carboxylic acid
PubChem CID4627778
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-methyl-1-(methylamino)cyclopropane-1-carboxylic acid
SMILESCNC1(C(=O)O)CC1C
InChIInChI=1S/C6H11NO2/c1-4-3-6(4,7-2)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)
InChIKeyDYSUVIPLCIOCKL-UHFFFAOYSA-N
XLogP0.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-(methylamino)thiolane-3-carboxylic acid
CID 130520026
cis-(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 57348144
cis-(1S,2S)-2-hydroxy-1-(methylamino)cyclopentane-1-carboxylic acid
CID 70118967
(1R)-1,2-dimethylcyclopropane-1-carboxylic acid
CID 69400955
methyl 2,4,4-trimethyl-1-(methylamino)cyclohexane-1-carboxylate
CID 81320916
1-[(2S)-2-methyl-1-(methylamino)cyclobutyl]ethanone
CID 146800799
N-[(2R)-1-acetyl-2-methylcyclopropyl]acetamide
CID 143744019
2,4,4-trimethyl-1-(prop-2-ynylamino)cyclopentane-1-carboxylic acid
CID 106663396
1-(cyclopentylamino)-2,4,4-trimethylcyclohexane-1-carboxylic acid
CID 81321246
2-[[2-[bis(carboxymethyl)amino]acetyl]amino]-1-(methylamino)cyclopropane-1-carboxylic acid
CID 163725699
2-butoxycarbonyl-1-(methylamino)cyclopropane-1-carboxylic acid
CID 170354774
carbonic acid;1,1-dichloro-2-methylcyclopropane
CID 68873513

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(methylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-methyl-1-(methylamino)cyclopropane-1-carboxylic acid (CID 4627778) is 2-methyl-1-(methylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(methylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-methyl-1-(methylamino)cyclopropane-1-carboxylic acid is CNC1(C(=O)O)CC1C.
What is the InChIKey of 2-methyl-1-(methylamino)cyclopropane-1-carboxylic acid?
The InChIKey is DYSUVIPLCIOCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-3-6(4,7-2)5(8)9/h4,7H,3H2,1-2H3,(H,8,9).
What are the key properties of 2-methyl-1-(methylamino)cyclopropane-1-carboxylic acid?
2-methyl-1-(methylamino)cyclopropane-1-carboxylic acid has a molecular weight of 129.16 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(methylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 4627778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).