2-[4-[cyclopropyl(methyl)amino]cyclohexyl]acetic acid

C12H21NO2 — CID 83835069

IUPAC2-[4-[cyclopropyl(methyl)amino]cyclohexyl]acetic acid
SMILESCN(C1CCC(CC(=O)O)CC1)C1CC1
InChIInChI=1S/C12H21NO2/c1-13(11-6-7-11)10-4-2-9(3-5-10)8-12(14)15/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyQLQSISNNTWNDQN-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.11
Rot. Bonds4

About 2-[4-[cyclopropyl(methyl)amino]cyclohexyl]acetic acid

2-[4-[cyclopropyl(methyl)amino]cyclohexyl]acetic acid (PubChem CID 83835069) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-[4-[cyclopropyl(methyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[cyclopropyl(methyl)amino]cyclohexyl]acetic acid
PubChem CID83835069
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-[4-[cyclopropyl(methyl)amino]cyclohexyl]acetic acid
SMILESCN(C1CCC(CC(=O)O)CC1)C1CC1
InChIInChI=1S/C12H21NO2/c1-13(11-6-7-11)10-4-2-9(3-5-10)8-12(14)15/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyQLQSISNNTWNDQN-UHFFFAOYSA-N
XLogP2.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[ethyl(methyl)amino]cyclohexyl]acetic acid
CID 83618301
2-[4-[methyl(4-methylpentanoyl)amino]cyclohexyl]acetic acid
CID 116817200
2-[4-[ethyl(methyl)carbamoyl]cyclohexyl]acetic acid
CID 115150957
4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 83831391
2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]acetic acid
CID 20710011
2-(4-tert-butylcyclohexyl)acetic acid
CID 4150736
2-[1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64617338
ethane;2-[4-(methoxymethyl)cyclohexyl]acetic acid
CID 145213044
2-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 70337796
3-[3-[cyclopropyl(methyl)amino]azetidin-1-yl]propanoic acid
CID 83831530
2-[(3S)-3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]acetic acid
CID 66568090
N-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid
CID 70625667

Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclopropyl(methyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[cyclopropyl(methyl)amino]cyclohexyl]acetic acid (CID 83835069) is 2-[4-[cyclopropyl(methyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[cyclopropyl(methyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[cyclopropyl(methyl)amino]cyclohexyl]acetic acid is CN(C1CCC(CC(=O)O)CC1)C1CC1.
What is the InChIKey of 2-[4-[cyclopropyl(methyl)amino]cyclohexyl]acetic acid?
The InChIKey is QLQSISNNTWNDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-13(11-6-7-11)10-4-2-9(3-5-10)8-12(14)15/h9-11H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-[4-[cyclopropyl(methyl)amino]cyclohexyl]acetic acid?
2-[4-[cyclopropyl(methyl)amino]cyclohexyl]acetic acid has a molecular weight of 211.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclopropyl(methyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 83835069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).