2-[1-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid

C15H25NO4 — CID 63298838

IUPAC2-[1-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCC(O)C2CC2)CCCCC1
InChIInChI=1S/C15H25NO4/c17-12(11-4-5-11)10-16-13(18)8-15(9-14(19)20)6-2-1-3-7-15/h11-12,17H,1-10H2,(H,16,18)(H,19,20)
InChIKeyCYQMKNUBXRHOAQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.69
Rot. Bonds7

About 2-[1-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 63298838) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[1-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID63298838
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-[1-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCC(O)C2CC2)CCCCC1
InChIInChI=1S/C15H25NO4/c17-12(11-4-5-11)10-16-13(18)8-15(9-14(19)20)6-2-1-3-7-15/h11-12,17H,1-10H2,(H,16,18)(H,19,20)
InChIKeyCYQMKNUBXRHOAQ-UHFFFAOYSA-N
XLogP1.69
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60941419
2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 65108169
2-[1-[2-(2-cyclobutylethylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 115686502
2-[1-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61069840
N-(2-cyclobutyl-2-hydroxyethyl)-1-hydroxycyclohexane-1-carboxamide
CID 136547027
2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexyl]acetic acid
CID 43235051
N-(2-methylpropyl)-2-[1-[2-(2-methylpropylamino)-2-oxoethyl]cyclopentyl]acetamide
CID 134025352
2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60919907
2-[1-[(2,2-dicyclopropylethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81156613
2-[1-[2-(4-cyanobutylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 63297334
2-[1-[2-[3-(2-hydroxyethoxy)propylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 106305125
2-[1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclohexyl]acetic acid
CID 43235012

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid (CID 63298838) is 2-[1-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid is O=C(O)CC1(CC(=O)NCC(O)C2CC2)CCCCC1.
What is the InChIKey of 2-[1-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is CYQMKNUBXRHOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c17-12(11-4-5-11)10-16-13(18)8-15(9-14(19)20)6-2-1-3-7-15/h11-12,17H,1-10H2,(H,16,18)(H,19,20).
What are the key properties of 2-[1-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 63298838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).