1-[(hexan-2-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid

C14H26N2O3 — CID 113309355

IUPAC1-[(hexan-2-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCCCCC(C)NC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C14H26N2O3/c1-3-4-7-11(2)16-13(19)15-10-14(12(17)18)8-5-6-9-14/h11H,3-10H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyQGISTYXNSUZJPJ-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.51
Rot. Bonds7

About 1-[(hexan-2-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid

1-[(hexan-2-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 113309355) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[(hexan-2-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(hexan-2-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
PubChem CID113309355
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[(hexan-2-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCCCCC(C)NC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C14H26N2O3/c1-3-4-7-11(2)16-13(19)15-10-14(12(17)18)8-5-6-9-14/h11H,3-10H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyQGISTYXNSUZJPJ-UHFFFAOYSA-N
XLogP2.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(octan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451389
1-[(butan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451089
1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 53397422
1-[(2-aminohexanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309229
1-[(3-methylpentan-2-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436807
1-[(pentylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444674
1-[(4-methylpentylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309359
1-[2-(heptan-2-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43578366
1-[[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436808
1-[(hex-1-yn-3-ylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 114161622
1-[[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434048
4-[(5-methylhexan-2-ylcarbamoylamino)methyl]oxane-4-carboxylic acid
CID 115440547

Frequently Asked Questions

What is the IUPAC name of 1-[(hexan-2-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(hexan-2-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid (CID 113309355) is 1-[(hexan-2-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(hexan-2-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(hexan-2-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid is CCCCC(C)NC(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(hexan-2-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is QGISTYXNSUZJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-4-7-11(2)16-13(19)15-10-14(12(17)18)8-5-6-9-14/h11H,3-10H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 1-[(hexan-2-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
1-[(hexan-2-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(hexan-2-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113309355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).