2-[(2,2-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid

C13H23NO2 — CID 103256629

IUPAC2-[(2,2-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid
SMILESCC1(C)CCCCC1NC1CCC1C(=O)O
InChIInChI=1S/C13H23NO2/c1-13(2)8-4-3-5-11(13)14-10-7-6-9(10)12(15)16/h9-11,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyMNCGJGHXHRWPNK-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.41
Rot. Bonds3

About 2-[(2,2-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid

2-[(2,2-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 103256629) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid
PubChem CID103256629
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[(2,2-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid
SMILESCC1(C)CCCCC1NC1CCC1C(=O)O
InChIInChI=1S/C13H23NO2/c1-13(2)8-4-3-5-11(13)14-10-7-6-9(10)12(15)16/h9-11,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyMNCGJGHXHRWPNK-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,2-dimethylcyclobutyl)amino]cyclobutane-1-carboxylic acid
CID 130556320
4-[(2,2-dimethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid
CID 79877784
trans-(1R,2R)-2-[(2,2-dimethylcyclohexyl)amino]cyclohexan-1-ol
CID 102731420
3-[(2,2-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 79862092
N-cyclopropyl-2,2-dimethylcyclohexan-1-amine
CID 79828410
2-[(2,2-dimethylcyclohexanecarbonyl)amino]cycloheptane-1-carboxylic acid
CID 107175737
3-[(2,2-dimethylcyclohexyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 112634164
2-[(2,2-dimethylcyclopentyl)amino]cycloheptan-1-ol
CID 79861277
3-[(2,2-dimethylcyclopentyl)amino]cyclobutan-1-ol
CID 79856418
(2,2-dimethylcyclohexyl)sulfamic acid
CID 175440747
2-[(2,2-dimethylcyclobutyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 130555726
1-[(2,2-dimethylcyclohexyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 79878705

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(2,2-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid (CID 103256629) is 2-[(2,2-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,2-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(2,2-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid is CC1(C)CCCCC1NC1CCC1C(=O)O.
What is the InChIKey of 2-[(2,2-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is MNCGJGHXHRWPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(2)8-4-3-5-11(13)14-10-7-6-9(10)12(15)16/h9-11,14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2,2-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid?
2-[(2,2-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103256629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).