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

C11H19NO2 — CID 130556320

IUPAC2-[(2,2-dimethylcyclobutyl)amino]cyclobutane-1-carboxylic acid
SMILESCC1(C)CCC1NC1CCC1C(=O)O
InChIInChI=1S/C11H19NO2/c1-11(2)6-5-9(11)12-8-4-3-7(8)10(13)14/h7-9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyCOSDTPJSAMPDBR-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.63
Rot. Bonds3

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

2-[(2,2-dimethylcyclobutyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 130556320) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclobutyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclobutyl)amino]cyclobutane-1-carboxylic acid
PubChem CID130556320
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-[(2,2-dimethylcyclobutyl)amino]cyclobutane-1-carboxylic acid
SMILESCC1(C)CCC1NC1CCC1C(=O)O
InChIInChI=1S/C11H19NO2/c1-11(2)6-5-9(11)12-8-4-3-7(8)10(13)14/h7-9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyCOSDTPJSAMPDBR-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,2-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 103256629
2-[(2,2-dimethylcyclobutyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 130555726
3-[(2,2-dimethylcyclobutyl)amino]-2,3-dioxopropanoic acid
CID 131134204
trans-(1R,2R)-2-[(2,2-dimethylcyclobutyl)amino]cyclopentan-1-ol
CID 122235783
2-[(4-methyloxan-4-yl)amino]cyclobutane-1-carboxylic acid
CID 103264171
2-[(2,3-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 103234715
2-[(2,2-dimethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64816939
trans-(1R,2R)-2-(methoxycarbonylamino)cyclobutane-1-carboxylic acid
CID 84654598
4-[(2,2-dimethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid
CID 79877784
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclobutane-1-carboxylic acid
CID 103248769
2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutane-1-carboxylic acid
CID 107853788
N-(2,2-dimethylcyclobutyl)-2-sulfanylpropanamide
CID 130556653

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclobutyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(2,2-dimethylcyclobutyl)amino]cyclobutane-1-carboxylic acid (CID 130556320) is 2-[(2,2-dimethylcyclobutyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,2-dimethylcyclobutyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(2,2-dimethylcyclobutyl)amino]cyclobutane-1-carboxylic acid is CC1(C)CCC1NC1CCC1C(=O)O.
What is the InChIKey of 2-[(2,2-dimethylcyclobutyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is COSDTPJSAMPDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2)6-5-9(11)12-8-4-3-7(8)10(13)14/h7-9,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-[(2,2-dimethylcyclobutyl)amino]cyclobutane-1-carboxylic acid?
2-[(2,2-dimethylcyclobutyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclobutyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 130556320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).