1-[[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid

C14H25N3O4 — CID 115446540

IUPAC1-[[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESCCN(CC)C(=O)CN(C)C(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C14H25N3O4/c1-4-17(5-2)11(18)9-16(3)13(21)15-10-14(12(19)20)7-6-8-14/h4-10H2,1-3H3,(H,15,21)(H,19,20)
InChIKeyMPVKAAVFDCEDKP-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.75
Rot. Bonds7

About 1-[[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid

1-[[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115446540) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115446540
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name1-[[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESCCN(CC)C(=O)CN(C)C(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C14H25N3O4/c1-4-17(5-2)11(18)9-16(3)13(21)15-10-14(12(19)20)7-6-8-14/h4-10H2,1-3H3,(H,15,21)(H,19,20)
InChIKeyMPVKAAVFDCEDKP-UHFFFAOYSA-N
XLogP0.75
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445339
1-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446609
1-[[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446641
1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450090
1-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451070
1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 113309363
1-[[[2-ethoxyethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115437002
1-[[[butyl(ethyl)carbamoyl]amino]methyl]cycloheptane-1-carboxylic acid
CID 115444679
1-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451439
1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446343
1-[[[cyclopropyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446401
1-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436769

Frequently Asked Questions

What is the IUPAC name of 1-[[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid (CID 115446540) is 1-[[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid is CCN(CC)C(=O)CN(C)C(=O)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is MPVKAAVFDCEDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-4-17(5-2)11(18)9-16(3)13(21)15-10-14(12(19)20)7-6-8-14/h4-10H2,1-3H3,(H,15,21)(H,19,20).
What are the key properties of 1-[[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid?
1-[[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115446540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).