2-[1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclohexyl]acetic acid

C15H27NO3 — CID 43235012

IUPAC2-[1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclohexyl]acetic acid
SMILESCCC(CC)NC(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H27NO3/c1-3-12(4-2)16-13(17)10-15(11-14(18)19)8-6-5-7-9-15/h12H,3-11H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyKTXFAOOVHMCODT-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.11
Rot. Bonds7

About 2-[1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclohexyl]acetic acid

2-[1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclohexyl]acetic acid (PubChem CID 43235012) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclohexyl]acetic acid
PubChem CID43235012
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-[1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclohexyl]acetic acid
SMILESCCC(CC)NC(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H27NO3/c1-3-12(4-2)16-13(17)10-15(11-14(18)19)8-6-5-7-9-15/h12H,3-11H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyKTXFAOOVHMCODT-UHFFFAOYSA-N
XLogP3.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid
CID 61072069
2-[1-[2-(3-ethylpentan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 63842782
2-[1-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61246423
2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid
CID 54959338
1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 43396421
2-[1-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61464488
2-[1-[2-oxo-2-(pent-1-yn-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid
CID 106231107
2-[1-[[2-oxo-2-(pentan-3-ylamino)ethyl]sulfanylmethyl]cyclopropyl]acetic acid
CID 65441697
2-[1-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 60661834
2-[1-[2-[(1-methylcyclobutyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 113485316
2-[1-(methoxymethyl)cyclohexyl]acetic acid
CID 115017080
ethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid
CID 143530710

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclohexyl]acetic acid (CID 43235012) is 2-[1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclohexyl]acetic acid is CCC(CC)NC(=O)CC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclohexyl]acetic acid?
The InChIKey is KTXFAOOVHMCODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-12(4-2)16-13(17)10-15(11-14(18)19)8-6-5-7-9-15/h12H,3-11H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclohexyl]acetic acid?
2-[1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclohexyl]acetic acid has a molecular weight of 269.38 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 43235012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).