1-[1-(2-methylphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid

C15H20N2O3 — CID 81163308

IUPAC1-[1-(2-methylphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
SMILESCc1ccccc1C(C)NC(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C15H20N2O3/c1-10-6-3-4-7-12(10)11(2)16-14(20)17-15(13(18)19)8-5-9-15/h3-4,6-7,11H,5,8-9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeySZSFXQSEFAPXMV-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.36
Rot. Bonds4

About 1-[1-(2-methylphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid

1-[1-(2-methylphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid (PubChem CID 81163308) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[1-(2-methylphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-methylphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
PubChem CID81163308
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[1-(2-methylphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
SMILESCc1ccccc1C(C)NC(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C15H20N2O3/c1-10-6-3-4-7-12(10)11(2)16-14(20)17-15(13(18)19)8-5-9-15/h3-4,6-7,11H,5,8-9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeySZSFXQSEFAPXMV-UHFFFAOYSA-N
XLogP2.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61186922
1-[1-(3-bromophenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162890
1-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43399713
1-[1-(furan-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 61197564
1-(1-phenylpropylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162628
1-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(1-methylcyclobutyl)urea
CID 125448403
2-hydroxy-3-[1-(2-methylphenyl)ethylcarbamoylamino]propanoic acid
CID 66167363
1-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide
CID 55037857
1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341683
2-ethyl-2-[1-(2-methylphenyl)ethylcarbamoylamino]butanoic acid
CID 79815013
1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea
CID 38152013
1-[2-(dimethylamino)-1-phenylethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 86993436

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[1-(2-methylphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid (CID 81163308) is 1-[1-(2-methylphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[1-(2-methylphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[1-(2-methylphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid is Cc1ccccc1C(C)NC(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[1-(2-methylphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid?
The InChIKey is SZSFXQSEFAPXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-6-3-4-7-12(10)11(2)16-14(20)17-15(13(18)19)8-5-9-15/h3-4,6-7,11H,5,8-9H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 1-[1-(2-methylphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid?
1-[1-(2-methylphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81163308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).