1-[(2-cyclopropylethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid

C15H26N2O3 — CID 115444820

IUPAC1-[(2-cyclopropylethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
SMILESO=C(NCCC1CC1)NCC1(C(=O)O)CCCCCC1
InChIInChI=1S/C15H26N2O3/c18-13(19)15(8-3-1-2-4-9-15)11-17-14(20)16-10-7-12-5-6-12/h12H,1-11H2,(H,18,19)(H2,16,17,20)
InChIKeyINJWGXOVQXYACT-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.51
Rot. Bonds6

About 1-[(2-cyclopropylethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid

1-[(2-cyclopropylethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid (PubChem CID 115444820) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[(2-cyclopropylethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-cyclopropylethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
PubChem CID115444820
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[(2-cyclopropylethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
SMILESO=C(NCCC1CC1)NCC1(C(=O)O)CCCCCC1
InChIInChI=1S/C15H26N2O3/c18-13(19)15(8-3-1-2-4-9-15)11-17-14(20)16-10-7-12-5-6-12/h12H,1-11H2,(H,18,19)(H2,16,17,20)
InChIKeyINJWGXOVQXYACT-UHFFFAOYSA-N
XLogP2.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(4-methylcyclohexyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446860
1-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 106005250
1-[[3-(methylamino)propylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436781
1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434091
1,3-bis(2-cyclopropylethyl)urea
CID 68635931
1-[(pentylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444674
1-[(oxan-4-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436924
1-[(2-pyrrolidin-1-ylethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436892
1-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 107414720
1-[[(2-methoxy-2-oxoethyl)carbamoylamino]methyl]cycloheptane-1-carboxylic acid
CID 115444671
1-[(3-methylsulfanylpropylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309790
1-[(oxolan-3-ylmethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444790

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopropylethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(2-cyclopropylethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid (CID 115444820) is 1-[(2-cyclopropylethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-cyclopropylethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(2-cyclopropylethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid is O=C(NCCC1CC1)NCC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[(2-cyclopropylethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid?
The InChIKey is INJWGXOVQXYACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-13(19)15(8-3-1-2-4-9-15)11-17-14(20)16-10-7-12-5-6-12/h12H,1-11H2,(H,18,19)(H2,16,17,20).
What are the key properties of 1-[(2-cyclopropylethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid?
1-[(2-cyclopropylethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopropylethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 115444820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).