3-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]hexanoic acid

C14H26N2O4 — CID 114950739

IUPAC3-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]hexanoic acid
SMILESCCCC(CC(=O)O)NC(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C14H26N2O4/c1-3-6-11(9-12(17)18)15-13(19)16(2)10-14(20)7-4-5-8-14/h11,20H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyXHYXPQXLWQBAPB-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.58
Rot. Bonds7

About 3-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]hexanoic acid

3-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]hexanoic acid (PubChem CID 114950739) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name3-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]hexanoic acid
PubChem CID114950739
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]hexanoic acid
SMILESCCCC(CC(=O)O)NC(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C14H26N2O4/c1-3-6-11(9-12(17)18)15-13(19)16(2)10-14(20)7-4-5-8-14/h11,20H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyXHYXPQXLWQBAPB-UHFFFAOYSA-N
XLogP1.58
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-((Ethylcarbamoyl)amino)cyclopentane-1-carboxylic acid
CID 16790939
2-[[Methyl(3,3,3-trifluoropropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 65538150
2-[[2,2-Difluoroethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 116316209
1-(3-Methylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 16785481
1-[(Butylcarbamoyl)amino]cyclopentane-1-carboxylic acid
CID 16787062
1-[2-(Dimethylamino)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 16788096
1-(Propylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 16789416
1-(2-Methylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 16791355
1-(Propan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 16791573
1-[[2-(Dimethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 16795705
1-[(Pentylcarbamoyl)amino]cyclopentane-1-carboxylic acid
CID 20118945
1-(Hexylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 29006531

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]hexanoic acid?
The IUPAC name of 3-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]hexanoic acid (CID 114950739) is 3-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]hexanoic acid.
What is the SMILES notation for 3-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]hexanoic acid?
The canonical SMILES for 3-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]hexanoic acid is CCCC(CC(=O)O)NC(=O)N(C)CC1(O)CCCC1.
What is the InChIKey of 3-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]hexanoic acid?
The InChIKey is XHYXPQXLWQBAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-6-11(9-12(17)18)15-13(19)16(2)10-14(20)7-4-5-8-14/h11,20H,3-10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]hexanoic acid?
3-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]hexanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]hexanoic acid is sourced from PubChem (CID 114950739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).