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

C15H27NO4 — CID 43804995

IUPAC2-[1-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCC(C)N(CCO)C(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H27NO4/c1-12(2)16(8-9-17)13(18)10-15(11-14(19)20)6-4-3-5-7-15/h12,17H,3-11H2,1-2H3,(H,19,20)
InChIKeyJQMQTVQQRYOIDD-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.03
Rot. Bonds7

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

2-[1-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 43804995) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-[1-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID43804995
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name2-[1-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCC(C)N(CCO)C(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H27NO4/c1-12(2)16(8-9-17)13(18)10-15(11-14(19)20)6-4-3-5-7-15/h12,17H,3-11H2,1-2H3,(H,19,20)
InChIKeyJQMQTVQQRYOIDD-UHFFFAOYSA-N
XLogP2.03
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43804931
2-[1-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 60662255
2-[1-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071498
2-[1-[2-[ethyl(propyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43804933
2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-propan-2-ylacetamide
CID 113440138
2-[1-[2-[bis(cyanomethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43235041
2-[1-[2-[ethyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071684
2-[1-[2-[2-[methyl(propan-2-yl)amino]ethylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 62641050
2-[1-[2-[butyl(ethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43235018
sodium 2-[1-(hydroxymethyl)cyclohexyl]acetic acid
CID 162368007
2-[1-[2-[3-[methyl(propan-2-yl)amino]propylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106032490
2-(1-aminocyclohexyl)-N-pentyl-N-propan-2-ylacetamide
CID 64686254

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid (CID 43804995) is 2-[1-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid is CC(C)N(CCO)C(=O)CC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is JQMQTVQQRYOIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-12(2)16(8-9-17)13(18)10-15(11-14(19)20)6-4-3-5-7-15/h12,17H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 285.38 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 43804995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).