1-[[(4-acetylphenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid

C15H18N2O4 — CID 115445330

IUPAC1-[[(4-acetylphenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCC(=O)c1ccc(NC(=O)NCC2(C(=O)O)CCC2)cc1
InChIInChI=1S/C15H18N2O4/c1-10(18)11-3-5-12(6-4-11)17-14(21)16-9-15(13(19)20)7-2-8-15/h3-6H,2,7-9H2,1H3,(H,19,20)(H2,16,17,21)
InChIKeyKHSUOISPEDLNSR-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.27
Rot. Bonds5

About 1-[[(4-acetylphenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid

1-[[(4-acetylphenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115445330) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-[[(4-acetylphenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-acetylphenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115445330
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-[[(4-acetylphenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCC(=O)c1ccc(NC(=O)NCC2(C(=O)O)CCC2)cc1
InChIInChI=1S/C15H18N2O4/c1-10(18)11-3-5-12(6-4-11)17-14(21)16-9-15(13(19)20)7-2-8-15/h3-6H,2,7-9H2,1H3,(H,19,20)(H2,16,17,21)
InChIKeyKHSUOISPEDLNSR-UHFFFAOYSA-N
XLogP2.27
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylphenyl)-3-[(1-methylcyclobutyl)methyl]urea
CID 103736201
1-[[(4-carbamoylphenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451138
1-[[(4-methoxyphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433087
1-[[(4-iodophenyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436676
1-(4-acetylphenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111425519
1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433949
1-[[(3-chloro-4-methylphenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445346
1-[(thiophen-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436981
1-[[(3-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433937
1-[[(4-chloro-3-fluorophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434138
1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433896
1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 971154

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-acetylphenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(4-acetylphenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid (CID 115445330) is 1-[[(4-acetylphenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-acetylphenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-acetylphenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid is CC(=O)c1ccc(NC(=O)NCC2(C(=O)O)CCC2)cc1.
What is the InChIKey of 1-[[(4-acetylphenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is KHSUOISPEDLNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10(18)11-3-5-12(6-4-11)17-14(21)16-9-15(13(19)20)7-2-8-15/h3-6H,2,7-9H2,1H3,(H,19,20)(H2,16,17,21).
What are the key properties of 1-[[(4-acetylphenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid?
1-[[(4-acetylphenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-acetylphenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115445330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).