2-[[(3-methylcyclopentyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid

C14H24N2O3 — CID 114548909

IUPAC2-[[(3-methylcyclopentyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCC1CCC(NC(=O)NCC2CCCC2C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-9-5-6-11(7-9)16-14(19)15-8-10-3-2-4-12(10)13(17)18/h9-12H,2-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyXRDLFFRVKOEHGX-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.98
Rot. Bonds4

About 2-[[(3-methylcyclopentyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid

2-[[(3-methylcyclopentyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 114548909) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[[(3-methylcyclopentyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(3-methylcyclopentyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID114548909
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[[(3-methylcyclopentyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCC1CCC(NC(=O)NCC2CCCC2C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-9-5-6-11(7-9)16-14(19)15-8-10-3-2-4-12(10)13(17)18/h9-12H,2-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyXRDLFFRVKOEHGX-UHFFFAOYSA-N
XLogP1.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[[(3-methylcyclopentyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

2-[[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 65896328
2-[[[Methyl(3,3,3-trifluoropropyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 65896548
2-[[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 65897699
2-[[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 65897893
2-[[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 65897894
2-[(2,2,2-Trifluoroethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 65898066
2-[[[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 65898086
2-[(3,3,3-Trifluoropropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 65899067
2-[(4,4,4-Trifluorobutan-2-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 105945205
2-[[[1-(Trifluoromethyl)cyclopropyl]carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 106216436
2-[(2,2,3,3-Tetrafluoropropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 106294840
2-[(2,2-Difluoroethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 115408000

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methylcyclopentyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(3-methylcyclopentyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid (CID 114548909) is 2-[[(3-methylcyclopentyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(3-methylcyclopentyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(3-methylcyclopentyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid is CC1CCC(NC(=O)NCC2CCCC2C(=O)O)C1.
What is the InChIKey of 2-[[(3-methylcyclopentyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is XRDLFFRVKOEHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9-5-6-11(7-9)16-14(19)15-8-10-3-2-4-12(10)13(17)18/h9-12H,2-8H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[[(3-methylcyclopentyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
2-[[(3-methylcyclopentyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methylcyclopentyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114548909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).