1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid

C10H18N2O3 — CID 115445339

IUPAC1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESCCN(C)C(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C10H18N2O3/c1-3-12(2)9(15)11-7-10(8(13)14)5-4-6-10/h3-7H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyXRUAERZCKXIWAQ-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.90
Rot. Bonds4

About 1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid

1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115445339) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115445339
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESCCN(C)C(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C10H18N2O3/c1-3-12(2)9(15)11-7-10(8(13)14)5-4-6-10/h3-7H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyXRUAERZCKXIWAQ-UHFFFAOYSA-N
XLogP0.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446540
1-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446609
1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 113309363
1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446343
3-[(1-aminocyclobutyl)methyl]-1-ethyl-1-methylurea
CID 103352663
1-[[[cyclopropyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446401
1-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451070
1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450090
1-[[[3-(dimethylamino)propyl-methylcarbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436923
1-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436769
1-[[[2-ethoxyethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115437002
1-[[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446462

Frequently Asked Questions

What is the IUPAC name of 1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid (CID 115445339) is 1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid is CCN(C)C(=O)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is XRUAERZCKXIWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-12(2)9(15)11-7-10(8(13)14)5-4-6-10/h3-7H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid?
1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115445339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).