2-[2-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid

C13H22N2O5 — CID 61328684

IUPAC2-[2-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESCC1CCCC(NC(=O)NC(=O)COCC(=O)O)C1C
InChIInChI=1S/C13H22N2O5/c1-8-4-3-5-10(9(8)2)14-13(19)15-11(16)6-20-7-12(17)18/h8-10H,3-7H2,1-2H3,(H,17,18)(H2,14,15,16,19)
InChIKeyHKGZTAGONUTWPF-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.74
Rot. Bonds5

About 2-[2-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid

2-[2-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid (PubChem CID 61328684) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[2-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid
PubChem CID61328684
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name2-[2-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESCC1CCCC(NC(=O)NC(=O)COCC(=O)O)C1C
InChIInChI=1S/C13H22N2O5/c1-8-4-3-5-10(9(8)2)14-13(19)15-11(16)6-20-7-12(17)18/h8-10H,3-7H2,1-2H3,(H,17,18)(H2,14,15,16,19)
InChIKeyHKGZTAGONUTWPF-UHFFFAOYSA-N
XLogP0.74
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934942
N-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934946
2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoylamino]-2-oxoethoxy]benzamide
CID 11921212
N-[(2,3-dimethylcyclohexyl)carbamoyl]-2-imidazol-1-ylacetamide
CID 17416415
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]carbamoylamino]-2-oxoethyl] 3-methylbenzoate
CID 31227624
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]carbamoylamino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 9467892
5-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-5-oxopentanoic acid
CID 7317755
[2-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate
CID 17468471
2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid
CID 43445011
1-tert-butyl-3-(2,3-dimethylcyclohexyl)urea
CID 115569990
3-chloro-N-[(2-methylcyclopentyl)carbamoyl]propanamide
CID 63279383
2-chloro-N-[(3-ethyl-2-methylcyclohexyl)carbamoyl]acetamide
CID 143560606

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid (CID 61328684) is 2-[2-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid is CC1CCCC(NC(=O)NC(=O)COCC(=O)O)C1C.
What is the InChIKey of 2-[2-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The InChIKey is HKGZTAGONUTWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-8-4-3-5-10(9(8)2)14-13(19)15-11(16)6-20-7-12(17)18/h8-10H,3-7H2,1-2H3,(H,17,18)(H2,14,15,16,19).
What are the key properties of 2-[2-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid?
2-[2-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid has a molecular weight of 286.33 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61328684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).