1-[[2-(N-methylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid

C14H18N2O3 — CID 81167198

IUPAC1-[[2-(N-methylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
SMILESCN(C(=O)CNC1(C(=O)O)CCC1)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-16(11-6-3-2-4-7-11)12(17)10-15-14(13(18)19)8-5-9-14/h2-4,6-7,15H,5,8-10H2,1H3,(H,18,19)
InChIKeyFNOUPAYXXMFCCL-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.25
Rot. Bonds5

About 1-[[2-(N-methylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid

1-[[2-(N-methylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81167198) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[[2-(N-methylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(N-methylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81167198
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[[2-(N-methylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
SMILESCN(C(=O)CNC1(C(=O)O)CCC1)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-16(11-6-3-2-4-7-11)12(17)10-15-14(13(18)19)8-5-9-14/h2-4,6-7,15H,5,8-10H2,1H3,(H,18,19)
InChIKeyFNOUPAYXXMFCCL-UHFFFAOYSA-N
XLogP1.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81168087
2-(cyclopropylmethylamino)-N-methyl-N-phenylacetamide
CID 60842442
1-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81166939
N-methyl-N-phenyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914951
methyl N-[2-(N-methylanilino)-2-oxoethyl]carbamate
CID 112996292
N-[2-(N-methylanilino)-2-oxoethyl]benzamide
CID 12674158
2-[1-[2-(N-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 61070370
1-[[2-(2-acetylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81156249
3-methyl-1-[[methyl(phenyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61290337
1-(benzylamino)cycloheptane-1-carboxylic acid
CID 60991600
2-[(4-fluorophenyl)methylamino]-N-methyl-N-phenylacetamide
CID 108997751
1-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 114991619

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(N-methylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-(N-methylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid (CID 81167198) is 1-[[2-(N-methylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(N-methylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(N-methylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid is CN(C(=O)CNC1(C(=O)O)CCC1)c1ccccc1.
What is the InChIKey of 1-[[2-(N-methylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is FNOUPAYXXMFCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16(11-6-3-2-4-7-11)12(17)10-15-14(13(18)19)8-5-9-14/h2-4,6-7,15H,5,8-10H2,1H3,(H,18,19).
What are the key properties of 1-[[2-(N-methylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid?
1-[[2-(N-methylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(N-methylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81167198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).