1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid

C10H18N2O3 — CID 115450090

IUPAC1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCCN(CC)C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-3-12(4-2)9(15)11-7-10(5-6-10)8(13)14/h3-7H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyAFPWXFOKKZBAMX-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.90
Rot. Bonds5

About 1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid

1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 115450090) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID115450090
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCCN(CC)C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-3-12(4-2)9(15)11-7-10(5-6-10)8(13)14/h3-7H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyAFPWXFOKKZBAMX-UHFFFAOYSA-N
XLogP0.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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-[[[ethyl(2-methylpropyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451233
1-[[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451479
1-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451439
1-[[[butyl(ethyl)carbamoyl]amino]methyl]cycloheptane-1-carboxylic acid
CID 115444679
1-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442992
1-[[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446641
1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445339
1-[[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446540
1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312370
1,1-diethyl-3-[(1-methylcyclopentyl)methyl]urea
CID 115618855
1-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446533
1,1-diethyl-3-[(1-ethylcyclobutyl)methyl]urea
CID 103741057

Frequently Asked Questions

What is the IUPAC name of 1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid (CID 115450090) is 1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid is CCN(CC)C(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is AFPWXFOKKZBAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-12(4-2)9(15)11-7-10(5-6-10)8(13)14/h3-7H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115450090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).