1-[(3-methylphenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid

C14H18N2O3 — CID 81162802

IUPAC1-[(3-methylphenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
SMILESCc1cccc(CNC(=O)NC2(C(=O)O)CCC2)c1
InChIInChI=1S/C14H18N2O3/c1-10-4-2-5-11(8-10)9-15-13(19)16-14(12(17)18)6-3-7-14/h2,4-5,8H,3,6-7,9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyDKUUDCCSFRYQRI-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.80
Rot. Bonds4

About 1-[(3-methylphenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid

1-[(3-methylphenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid (PubChem CID 81162802) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methylphenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
PubChem CID81162802
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[(3-methylphenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
SMILESCc1cccc(CNC(=O)NC2(C(=O)O)CCC2)c1
InChIInChI=1S/C14H18N2O3/c1-10-4-2-5-11(8-10)9-15-13(19)16-14(12(17)18)6-3-7-14/h2,4-5,8H,3,6-7,9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyDKUUDCCSFRYQRI-UHFFFAOYSA-N
XLogP1.80
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096961
1-[2-(3-methylphenyl)ethylamino]cyclopentane-1-carboxylic acid
CID 114999787
1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975048
1-hydroxy-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907173
1-N-[(3-methylphenyl)methyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970412
1-[(3-chloro-4-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 62531746
1-[(6-methyl-3-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 62996002
1-[1-(4-methoxyphenyl)cyclopropyl]-3-[(3-methylphenyl)methyl]urea
CID 113215580
1-(3-methylanilino)cyclobutane-1-carboxylic acid
CID 62389633
1-[[2-(3-methylphenyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446754
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea
CID 47159778
(3-methylphenyl)methylurea
CID 60776531

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(3-methylphenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid (CID 81162802) is 1-[(3-methylphenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-methylphenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(3-methylphenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid is Cc1cccc(CNC(=O)NC2(C(=O)O)CCC2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid?
The InChIKey is DKUUDCCSFRYQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-4-2-5-11(8-10)9-15-13(19)16-14(12(17)18)6-3-7-14/h2,4-5,8H,3,6-7,9H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 1-[(3-methylphenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid?
1-[(3-methylphenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81162802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).