2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclohexyl]acetic acid

C20H31NO3 — CID 24947240

IUPAC2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCCC1
InChIInChI=1S/C20H31NO3/c22-17(11-20(12-18(23)24)4-2-1-3-5-20)21-19-15-7-13-6-14(9-15)10-16(19)8-13/h13-16,19H,1-12H2,(H,21,22)(H,23,24)
InChIKeyUXGMPZLNSYTPAO-UHFFFAOYSA-N
MW333.47 g/mol
LogP3.74
Rot. Bonds5

About 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 24947240) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID24947240
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCCC1
InChIInChI=1S/C20H31NO3/c22-17(11-20(12-18(23)24)4-2-1-3-5-20)21-19-15-7-13-6-14(9-15)10-16(19)8-13/h13-16,19H,1-12H2,(H,21,22)(H,23,24)
InChIKeyUXGMPZLNSYTPAO-UHFFFAOYSA-N
XLogP3.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclohexyl]acetic acid (CID 24947240) is 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclohexyl]acetic acid is O=C(O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCCC1.
What is the InChIKey of 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is UXGMPZLNSYTPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c22-17(11-20(12-18(23)24)4-2-1-3-5-20)21-19-15-7-13-6-14(9-15)10-16(19)8-13/h13-16,19H,1-12H2,(H,21,22)(H,23,24).
What are the key properties of 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 333.47 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 24947240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).