2-[2-[(3-hydroxycyclohexyl)amino]-2-oxoethoxy]acetic acid

C10H17NO5 — CID 61329813

IUPAC2-[2-[(3-hydroxycyclohexyl)amino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NC1CCCC(O)C1
InChIInChI=1S/C10H17NO5/c12-8-3-1-2-7(4-8)11-9(13)5-16-6-10(14)15/h7-8,12H,1-6H2,(H,11,13)(H,14,15)
InChIKeyXUCBZDFVAZSOKJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.49
Rot. Bonds5

About 2-[2-[(3-hydroxycyclohexyl)amino]-2-oxoethoxy]acetic acid

2-[2-[(3-hydroxycyclohexyl)amino]-2-oxoethoxy]acetic acid (PubChem CID 61329813) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[2-[(3-hydroxycyclohexyl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-hydroxycyclohexyl)amino]-2-oxoethoxy]acetic acid
PubChem CID61329813
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name2-[2-[(3-hydroxycyclohexyl)amino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NC1CCCC(O)C1
InChIInChI=1S/C10H17NO5/c12-8-3-1-2-7(4-8)11-9(13)5-16-6-10(14)15/h7-8,12H,1-6H2,(H,11,13)(H,14,15)
InChIKeyXUCBZDFVAZSOKJ-UHFFFAOYSA-N
XLogP-0.49
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[(1S,3R)-3-hydroxycyclohexyl]acetamide
CID 95358222
N-(3-hydroxycyclohexyl)-2-(2-methoxyethoxy)acetamide
CID 103722197
N-(3-hydroxycyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604612
[(1R,3R)-3-hydroxycycloheptyl]carbamic acid
CID 89396193
N-(3-hydroxycyclohexyl)-2-methylsulfanylacetamide
CID 131160438
2-[2-[(4-ethylcyclohexyl)amino]-2-oxoethoxy]acetic acid
CID 60706988
2-ethoxy-N-(3-ethylcyclohexyl)acetamide
CID 64748602
2-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid
CID 61328994
methyl N-(3-hydroxycyclohexyl)carbamate
CID 103626697
2-[2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethoxy]acetic acid
CID 106359300
3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 103932793
N-[(1R,3S)-3-hydroxycyclohexyl]acetamide
CID 121286290

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-hydroxycyclohexyl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(3-hydroxycyclohexyl)amino]-2-oxoethoxy]acetic acid (CID 61329813) is 2-[2-[(3-hydroxycyclohexyl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3-hydroxycyclohexyl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(3-hydroxycyclohexyl)amino]-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)NC1CCCC(O)C1.
What is the InChIKey of 2-[2-[(3-hydroxycyclohexyl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is XUCBZDFVAZSOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c12-8-3-1-2-7(4-8)11-9(13)5-16-6-10(14)15/h7-8,12H,1-6H2,(H,11,13)(H,14,15).
What are the key properties of 2-[2-[(3-hydroxycyclohexyl)amino]-2-oxoethoxy]acetic acid?
2-[2-[(3-hydroxycyclohexyl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 231.25 g/mol, XLogP of -0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-hydroxycyclohexyl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61329813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).