1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid

C14H25NO3 — CID 102538298

IUPAC1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid
SMILESCCCNC(=O)CC1(C(=O)O)CCCCCCC1
InChIInChI=1S/C14H25NO3/c1-2-10-15-12(16)11-14(13(17)18)8-6-4-3-5-7-9-14/h2-11H2,1H3,(H,15,16)(H,17,18)
InChIKeyYSOTUPQWCHEBCR-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.72
Rot. Bonds5

About 1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid

1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid (PubChem CID 102538298) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid
PubChem CID102538298
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid
SMILESCCCNC(=O)CC1(C(=O)O)CCCCCCC1
InChIInChI=1S/C14H25NO3/c1-2-10-15-12(16)11-14(13(17)18)8-6-4-3-5-7-9-14/h2-11H2,1H3,(H,15,16)(H,17,18)
InChIKeyYSOTUPQWCHEBCR-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529270
1-[2-(butylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43529487
1-[2-oxo-2-(pentylamino)ethyl]cycloheptane-1-carboxylic acid
CID 43529498
1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43402208
1-[2-[2-[ethyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 62642132
1-[2-[2-[ethyl(methyl)amino]ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 62641943
1-[2-(3-hydroxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60889868
1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43529686
1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43546068
1-[2-(2-cyanoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 54867554
1-[2-(6-hydroxyhexylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 107846493
1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 104932953

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid (CID 102538298) is 1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid is CCCNC(=O)CC1(C(=O)O)CCCCCCC1.
What is the InChIKey of 1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid?
The InChIKey is YSOTUPQWCHEBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-10-15-12(16)11-14(13(17)18)8-6-4-3-5-7-9-14/h2-11H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid?
1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid is sourced from PubChem (CID 102538298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).