3-[2-(cyclohexylamino)-2-oxoethyl]-3-azabicyclo[4.1.0]heptane-1-carboxylic acid

C15H24N2O3 — CID 82363389

IUPAC3-[2-(cyclohexylamino)-2-oxoethyl]-3-azabicyclo[4.1.0]heptane-1-carboxylic acid
SMILESO=C(CN1CCC2CC2(C(=O)O)C1)NC1CCCCC1
InChIInChI=1S/C15H24N2O3/c18-13(16-12-4-2-1-3-5-12)9-17-7-6-11-8-15(11,10-17)14(19)20/h11-12H,1-10H2,(H,16,18)(H,19,20)
InChIKeyCYPNULKIUKHMMT-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.23
Rot. Bonds4

About 3-[2-(cyclohexylamino)-2-oxoethyl]-3-azabicyclo[4.1.0]heptane-1-carboxylic acid

3-[2-(cyclohexylamino)-2-oxoethyl]-3-azabicyclo[4.1.0]heptane-1-carboxylic acid (PubChem CID 82363389) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[2-(cyclohexylamino)-2-oxoethyl]-3-azabicyclo[4.1.0]heptane-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-(cyclohexylamino)-2-oxoethyl]-3-azabicyclo[4.1.0]heptane-1-carboxylic acid
PubChem CID82363389
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-[2-(cyclohexylamino)-2-oxoethyl]-3-azabicyclo[4.1.0]heptane-1-carboxylic acid
SMILESO=C(CN1CCC2CC2(C(=O)O)C1)NC1CCCCC1
InChIInChI=1S/C15H24N2O3/c18-13(16-12-4-2-1-3-5-12)9-17-7-6-11-8-15(11,10-17)14(19)20/h11-12H,1-10H2,(H,16,18)(H,19,20)
InChIKeyCYPNULKIUKHMMT-UHFFFAOYSA-N
XLogP1.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3aS,6aR)-2-[2-(cyclooctylamino)-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120680563
(3aS,6aR)-2-[2-(cycloheptylamino)-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120681380
1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904852
1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908022
1-[2-(cycloheptylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63148645
N-cyclopentyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962574
1-[2-(cyclopentylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126585
N-cyclohexyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60968203
2-(3-anilinopyrrolidin-1-yl)-N-cyclooctylacetamide
CID 102555895
N-cyclohexyl-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107225773
N-cyclohexyl-2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]acetamide
CID 166605706
N-cyclooctyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918786

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylamino)-2-oxoethyl]-3-azabicyclo[4.1.0]heptane-1-carboxylic acid?
The IUPAC name of 3-[2-(cyclohexylamino)-2-oxoethyl]-3-azabicyclo[4.1.0]heptane-1-carboxylic acid (CID 82363389) is 3-[2-(cyclohexylamino)-2-oxoethyl]-3-azabicyclo[4.1.0]heptane-1-carboxylic acid.
What is the SMILES notation for 3-[2-(cyclohexylamino)-2-oxoethyl]-3-azabicyclo[4.1.0]heptane-1-carboxylic acid?
The canonical SMILES for 3-[2-(cyclohexylamino)-2-oxoethyl]-3-azabicyclo[4.1.0]heptane-1-carboxylic acid is O=C(CN1CCC2CC2(C(=O)O)C1)NC1CCCCC1.
What is the InChIKey of 3-[2-(cyclohexylamino)-2-oxoethyl]-3-azabicyclo[4.1.0]heptane-1-carboxylic acid?
The InChIKey is CYPNULKIUKHMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c18-13(16-12-4-2-1-3-5-12)9-17-7-6-11-8-15(11,10-17)14(19)20/h11-12H,1-10H2,(H,16,18)(H,19,20).
What are the key properties of 3-[2-(cyclohexylamino)-2-oxoethyl]-3-azabicyclo[4.1.0]heptane-1-carboxylic acid?
3-[2-(cyclohexylamino)-2-oxoethyl]-3-azabicyclo[4.1.0]heptane-1-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylamino)-2-oxoethyl]-3-azabicyclo[4.1.0]heptane-1-carboxylic acid is sourced from PubChem (CID 82363389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).