2-(7-methyloctylcarbamoylamino)cyclopentane-1-carboxylic acid

C16H30N2O3 — CID 107817216

IUPAC2-(7-methyloctylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)CCCCCCNC(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C16H30N2O3/c1-12(2)8-5-3-4-6-11-17-16(21)18-14-10-7-9-13(14)15(19)20/h12-14H,3-11H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyMDLVLVRLLRRGFL-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.15
Rot. Bonds9

About 2-(7-methyloctylcarbamoylamino)cyclopentane-1-carboxylic acid

2-(7-methyloctylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 107817216) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-(7-methyloctylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(7-methyloctylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID107817216
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-(7-methyloctylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)CCCCCCNC(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C16H30N2O3/c1-12(2)8-5-3-4-6-11-17-16(21)18-14-10-7-9-13(14)15(19)20/h12-14H,3-11H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyMDLVLVRLLRRGFL-UHFFFAOYSA-N
XLogP3.15
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxypropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64817862
2-(hexan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64818299
2-[2-(dimethylamino)propylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64816743
2-(3,3,3-trifluoropropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64815987
1-methyl-3-(7-methyloctyl)urea
CID 71899901
1-undecyl-3-[(1R)-2-(undecylcarbamoylamino)cyclohexyl]urea
CID 91230133
2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 64817864
4-(7-methyloctylcarbamoyl)cyclohexane-1-carboxylic acid
CID 107817708
1-(3-hydroxypropyl)-3-(2-methylcyclopentyl)urea
CID 111104441
4-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 80540743
2-[2-(oxolan-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815766
2-(4-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 64812288

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyloctylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(7-methyloctylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 107817216) is 2-(7-methyloctylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(7-methyloctylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(7-methyloctylcarbamoylamino)cyclopentane-1-carboxylic acid is CC(C)CCCCCCNC(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-(7-methyloctylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is MDLVLVRLLRRGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12(2)8-5-3-4-6-11-17-16(21)18-14-10-7-9-13(14)15(19)20/h12-14H,3-11H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-(7-methyloctylcarbamoylamino)cyclopentane-1-carboxylic acid?
2-(7-methyloctylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 298.43 g/mol, XLogP of 3.15, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyloctylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107817216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).