1-[2-(dicyclopropylmethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid

C16H25NO3 — CID 60941202

IUPAC1-[2-(dicyclopropylmethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCCC1)NC(C1CC1)C1CC1
InChIInChI=1S/C16H25NO3/c18-13(17-14(11-4-5-11)12-6-7-12)10-16(15(19)20)8-2-1-3-9-16/h11-12,14H,1-10H2,(H,17,18)(H,19,20)
InChIKeyBBGYKZNEJPYFOL-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.72
Rot. Bonds6

About 1-[2-(dicyclopropylmethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid

1-[2-(dicyclopropylmethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 60941202) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-(dicyclopropylmethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dicyclopropylmethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
PubChem CID60941202
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[2-(dicyclopropylmethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCCC1)NC(C1CC1)C1CC1
InChIInChI=1S/C16H25NO3/c18-13(17-14(11-4-5-11)12-6-7-12)10-16(15(19)20)8-2-1-3-9-16/h11-12,14H,1-10H2,(H,17,18)(H,19,20)
InChIKeyBBGYKZNEJPYFOL-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid
CID 43529300
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CID 43396421
CID 89009885
CID 89009885
1-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 106344050
1-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 79254012
1-[2-(heptan-2-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43578366
1-[2-(4-methylsulfanylbutan-2-ylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 113477007
1-[2-(octan-4-ylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 106019129
1-[2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]cyclohexane-1-carboxylic acid
CID 79358096
1-[2-(hexan-3-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 62119087
1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 61499207
1-(carboxymethyl)cyclotridecane-1-carboxylic acid
CID 18620498

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dicyclopropylmethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-(dicyclopropylmethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 60941202) is 1-[2-(dicyclopropylmethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(dicyclopropylmethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-(dicyclopropylmethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCCC1)NC(C1CC1)C1CC1.
What is the InChIKey of 1-[2-(dicyclopropylmethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid?
The InChIKey is BBGYKZNEJPYFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c18-13(17-14(11-4-5-11)12-6-7-12)10-16(15(19)20)8-2-1-3-9-16/h11-12,14H,1-10H2,(H,17,18)(H,19,20).
What are the key properties of 1-[2-(dicyclopropylmethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid?
1-[2-(dicyclopropylmethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid has a molecular weight of 279.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dicyclopropylmethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60941202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).