1-[2-[(2-methylcyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid

C16H27NO3 — CID 63278195

IUPAC1-[2-[(2-methylcyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESCC1CCCC1NC(=O)CC1(C(=O)O)CCCCCC1
InChIInChI=1S/C16H27NO3/c1-12-7-6-8-13(12)17-14(18)11-16(15(19)20)9-4-2-3-5-10-16/h12-13H,2-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyGRFCTYDAPYHQRU-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.11
Rot. Bonds4

About 1-[2-[(2-methylcyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid

1-[2-[(2-methylcyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid (PubChem CID 63278195) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[2-[(2-methylcyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-methylcyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
PubChem CID63278195
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-[2-[(2-methylcyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESCC1CCCC1NC(=O)CC1(C(=O)O)CCCCCC1
InChIInChI=1S/C16H27NO3/c1-12-7-6-8-13(12)17-14(18)11-16(15(19)20)9-4-2-3-5-10-16/h12-13H,2-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyGRFCTYDAPYHQRU-UHFFFAOYSA-N
XLogP3.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43529605
1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 62086582
1-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 79856385
1-[2-[(3,3-dimethylcyclopentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 114543563
2-bromo-N-(2-methylcyclopentyl)acetamide
CID 63681266
1-[2-[(4-ethylcyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 61467269
2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 65241761
1-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 55062097
1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid
CID 43529300
1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 82720670
1-[2-[methyl-(2-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60953891
1-[2-(oxan-3-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 63363742

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylcyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[2-[(2-methylcyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid (CID 63278195) is 1-[2-[(2-methylcyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-methylcyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(2-methylcyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid is CC1CCCC1NC(=O)CC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[2-[(2-methylcyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The InChIKey is GRFCTYDAPYHQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-12-7-6-8-13(12)17-14(18)11-16(15(19)20)9-4-2-3-5-10-16/h12-13H,2-11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[2-[(2-methylcyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
1-[2-[(2-methylcyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylcyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 63278195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).