2-[2-[(4-ethylcyclohexyl)amino]-2-oxoethoxy]acetic acid

C12H21NO4 — CID 60706988

IUPAC2-[2-[(4-ethylcyclohexyl)amino]-2-oxoethoxy]acetic acid
SMILESCCC1CCC(NC(=O)COCC(=O)O)CC1
InChIInChI=1S/C12H21NO4/c1-2-9-3-5-10(6-4-9)13-11(14)7-17-8-12(15)16/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyGFANYLUUGDCSLF-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.17
Rot. Bonds6

About 2-[2-[(4-ethylcyclohexyl)amino]-2-oxoethoxy]acetic acid

2-[2-[(4-ethylcyclohexyl)amino]-2-oxoethoxy]acetic acid (PubChem CID 60706988) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[2-[(4-ethylcyclohexyl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-ethylcyclohexyl)amino]-2-oxoethoxy]acetic acid
PubChem CID60706988
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-[2-[(4-ethylcyclohexyl)amino]-2-oxoethoxy]acetic acid
SMILESCCC1CCC(NC(=O)COCC(=O)O)CC1
InChIInChI=1S/C12H21NO4/c1-2-9-3-5-10(6-4-9)13-11(14)7-17-8-12(15)16/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyGFANYLUUGDCSLF-UHFFFAOYSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4-ethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61468508
2-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid
CID 61328994
2-(cyclopropylmethylamino)-N-(4-ethylcyclohexyl)acetamide;hydrochloride
CID 119716167
2-[2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-oxoethoxy]acetic acid
CID 61329467
N-(4-chlorocyclohexyl)-2-ethoxyacetamide
CID 114297048
2-(4-aminocyclohexyl)-N-(4-ethylcyclohexyl)acetamide
CID 62782919
2-(4-aminophenoxy)-N-(4-ethylcyclohexyl)acetamide
CID 61466103
2-[2-[(3-hydroxycyclohexyl)amino]-2-oxoethoxy]acetic acid
CID 61329813
2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethoxy]acetic acid
CID 61328036
N-cyclohexyl-2-ethoxyacetamide
CID 4141421
1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 115590484
4-chloro-N-(4-ethylcyclohexyl)butanamide
CID 63308231

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-ethylcyclohexyl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-ethylcyclohexyl)amino]-2-oxoethoxy]acetic acid (CID 60706988) is 2-[2-[(4-ethylcyclohexyl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-ethylcyclohexyl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-ethylcyclohexyl)amino]-2-oxoethoxy]acetic acid is CCC1CCC(NC(=O)COCC(=O)O)CC1.
What is the InChIKey of 2-[2-[(4-ethylcyclohexyl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is GFANYLUUGDCSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-2-9-3-5-10(6-4-9)13-11(14)7-17-8-12(15)16/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[2-[(4-ethylcyclohexyl)amino]-2-oxoethoxy]acetic acid?
2-[2-[(4-ethylcyclohexyl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 243.30 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-ethylcyclohexyl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 60706988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).