1-[2-[(4-methylcyclohexyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C16H27NO3 — CID 63243934

IUPAC1-[2-[(4-methylcyclohexyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCC1CCC(CNC(=O)CC2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C16H27NO3/c1-12-4-6-13(7-5-12)11-17-14(18)10-16(15(19)20)8-2-3-9-16/h12-13H,2-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyCGCRXXONZTVFIY-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.96
Rot. Bonds5

About 1-[2-[(4-methylcyclohexyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[(4-methylcyclohexyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 63243934) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[2-[(4-methylcyclohexyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(4-methylcyclohexyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID63243934
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-[2-[(4-methylcyclohexyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCC1CCC(CNC(=O)CC2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C16H27NO3/c1-12-4-6-13(7-5-12)11-17-14(18)10-16(15(19)20)8-2-3-9-16/h12-13H,2-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyCGCRXXONZTVFIY-UHFFFAOYSA-N
XLogP2.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(3-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 114146131
1-[2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 62552996
1-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60940856
1-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 107414720
1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid
CID 102538298
1-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529270
2-(1-aminocyclopentyl)-N-(cyclopropylmethyl)acetamide
CID 64685708
1-[2-(butylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43529487
1-[2-[(4-ethylcyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 61467269
1-[2-(2-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 102694595
1-[2-oxo-2-(pentylamino)ethyl]cycloheptane-1-carboxylic acid
CID 43529498
1-[2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 114515072

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methylcyclohexyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[(4-methylcyclohexyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 63243934) is 1-[2-[(4-methylcyclohexyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(4-methylcyclohexyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(4-methylcyclohexyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is CC1CCC(CNC(=O)CC2(C(=O)O)CCCC2)CC1.
What is the InChIKey of 1-[2-[(4-methylcyclohexyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is CGCRXXONZTVFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-12-4-6-13(7-5-12)11-17-14(18)10-16(15(19)20)8-2-3-9-16/h12-13H,2-11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[2-[(4-methylcyclohexyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[(4-methylcyclohexyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methylcyclohexyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63243934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).