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

C15H27NO3 — CID 43804931

IUPAC2-[1-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCCN(C(=O)CC1(CC(=O)O)CCCCC1)C(C)C
InChIInChI=1S/C15H27NO3/c1-4-16(12(2)3)13(17)10-15(11-14(18)19)8-6-5-7-9-15/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeyGIHTYCPXURILCP-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.06
Rot. Bonds6

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

2-[1-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 43804931) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-[1-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID43804931
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-[1-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCCN(C(=O)CC1(CC(=O)O)CCCCC1)C(C)C
InChIInChI=1S/C15H27NO3/c1-4-16(12(2)3)13(17)10-15(11-14(18)19)8-6-5-7-9-15/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeyGIHTYCPXURILCP-UHFFFAOYSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-propan-2-ylacetamide
CID 113440138
2-[1-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43804995
2-[1-[2-[ethyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071684
2-[1-[2-[ethyl(propyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43804933
2-[1-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071498
2-[1-[2-[butyl(ethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43235018
2-[1-[2-[bis(cyanomethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43235041
2-[1-[2-[cyclopropylmethyl(ethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 63956962
2-[1-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 60662255
2-[1-[2-[2-[methyl(propan-2-yl)amino]ethylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 62641050
2-[1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071131
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-[ethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid (CID 43804931) is 2-[1-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid is CCN(C(=O)CC1(CC(=O)O)CCCCC1)C(C)C.
What is the InChIKey of 2-[1-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is GIHTYCPXURILCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-4-16(12(2)3)13(17)10-15(11-14(18)19)8-6-5-7-9-15/h12H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 269.38 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 43804931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).