2-(aminomethyl)-3-methylcyclopropane-1-carboxylic acid

C6H11NO2 — CID 105427429

IUPAC2-(aminomethyl)-3-methylcyclopropane-1-carboxylic acid
SMILESCC1C(CN)C1C(=O)O
InChIInChI=1S/C6H11NO2/c1-3-4(2-7)5(3)6(8)9/h3-5H,2,7H2,1H3,(H,8,9)
InChIKeySGSSFWSBJQYDBL-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.09
Rot. Bonds2

About 2-(aminomethyl)-3-methylcyclopropane-1-carboxylic acid

2-(aminomethyl)-3-methylcyclopropane-1-carboxylic acid (PubChem CID 105427429) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-methylcyclopropane-1-carboxylic acid
PubChem CID105427429
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-(aminomethyl)-3-methylcyclopropane-1-carboxylic acid
SMILESCC1C(CN)C1C(=O)O
InChIInChI=1S/C6H11NO2/c1-3-4(2-7)5(3)6(8)9/h3-5H,2,7H2,1H3,(H,8,9)
InChIKeySGSSFWSBJQYDBL-UHFFFAOYSA-N
XLogP-0.09
TPSA63.32 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 ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethylcyclobutane-1,3-dicarboxylic acid
CID 123455238
2-(aminomethyl)-3-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 75596236
5-methylcyclopentane-1,2,3,4-tetracarboxylic acid
CID 20514196
(1S,2R,3S)-2-(aminomethyl)-3-methylcyclopentane-1-carboxylic acid
CID 95757429
[(3S)-2-(aminomethyl)-3-methylcyclopropyl]methanol
CID 143572828
(3R,4S,5S)-5-(aminomethyl)-3,4-dimethyloxolane-2-carboxylic acid
CID 59036333
(1R,4S,7R,8R)-5-(aminomethyl)-1-methyltricyclo[5.2.1.04,8]decane-6-carboxylic acid
CID 167169033
8-(aminomethyl)bicyclo[3.2.1]octane-3-carboxylic acid
CID 115016482
trans-(1R,2R)-3-[(dimethylamino)methyl]cyclopropane-1,2-dicarboxylic acid
CID 102308216
(6S)-2,5,6-trimethylcyclohex-3-ene-1-carboxylic acid
CID 89078018
3,6-dimethylcyclohexane-1,2-dicarboxylic acid
CID 18356822
2,4-dimethyloxetane-3-carboxylic acid
CID 168766151

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-(aminomethyl)-3-methylcyclopropane-1-carboxylic acid (CID 105427429) is 2-(aminomethyl)-3-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(aminomethyl)-3-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(aminomethyl)-3-methylcyclopropane-1-carboxylic acid is CC1C(CN)C1C(=O)O.
What is the InChIKey of 2-(aminomethyl)-3-methylcyclopropane-1-carboxylic acid?
The InChIKey is SGSSFWSBJQYDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-4(2-7)5(3)6(8)9/h3-5H,2,7H2,1H3,(H,8,9).
What are the key properties of 2-(aminomethyl)-3-methylcyclopropane-1-carboxylic acid?
2-(aminomethyl)-3-methylcyclopropane-1-carboxylic acid has a molecular weight of 129.16 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 105427429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).