1-[(2-tert-butylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid

C16H22N2O3 — CID 81156235

IUPAC1-[(2-tert-butylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)c1ccccc1NC(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C16H22N2O3/c1-15(2,3)11-7-4-5-8-12(11)17-14(21)18-16(13(19)20)9-6-10-16/h4-5,7-8H,6,9-10H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyZDLFQKSXYRFFBD-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.11
Rot. Bonds3

About 1-[(2-tert-butylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid

1-[(2-tert-butylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid (PubChem CID 81156235) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[(2-tert-butylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-tert-butylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid
PubChem CID81156235
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[(2-tert-butylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)c1ccccc1NC(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C16H22N2O3/c1-15(2,3)11-7-4-5-8-12(11)17-14(21)18-16(13(19)20)9-6-10-16/h4-5,7-8H,6,9-10H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyZDLFQKSXYRFFBD-UHFFFAOYSA-N
XLogP3.11
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-iodophenyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61184494
1-[(3-bromo-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107627199
1-[(2,3-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61208643
1-[(2-methyl-3-nitrophenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 107810989
4-(2-tert-butylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496989
1-(2-tert-butylphenyl)-3-pyridin-2-ylurea
CID 110491801
1-amino-N-(2-tert-butylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119399892
1-[(2,4-dichlorophenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81160963
1-[(2-fluorophenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162721
1-(2-tert-butylphenyl)-3-[(3-hydroxythiolan-3-yl)methyl]urea
CID 111614632
4-[(2-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107840119
1-(2-bromoanilino)cyclobutane-1-carboxylic acid
CID 62389463

Frequently Asked Questions

What is the IUPAC name of 1-[(2-tert-butylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2-tert-butylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid (CID 81156235) is 1-[(2-tert-butylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-tert-butylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2-tert-butylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid is CC(C)(C)c1ccccc1NC(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(2-tert-butylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid?
The InChIKey is ZDLFQKSXYRFFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-15(2,3)11-7-4-5-8-12(11)17-14(21)18-16(13(19)20)9-6-10-16/h4-5,7-8H,6,9-10H2,1-3H3,(H,19,20)(H2,17,18,21).
What are the key properties of 1-[(2-tert-butylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid?
1-[(2-tert-butylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-tert-butylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81156235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).