2-[cycloheptylcarbamoyl(2-methoxyethyl)amino]acetic acid

C13H24N2O4 — CID 79271342

IUPAC2-[cycloheptylcarbamoyl(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NC1CCCCCC1
InChIInChI=1S/C13H24N2O4/c1-19-9-8-15(10-12(16)17)13(18)14-11-6-4-2-3-5-7-11/h11H,2-10H2,1H3,(H,14,18)(H,16,17)
InChIKeyADRKJKXBUWFBHL-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.45
Rot. Bonds6

About 2-[cycloheptylcarbamoyl(2-methoxyethyl)amino]acetic acid

2-[cycloheptylcarbamoyl(2-methoxyethyl)amino]acetic acid (PubChem CID 79271342) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[cycloheptylcarbamoyl(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cycloheptylcarbamoyl(2-methoxyethyl)amino]acetic acid
PubChem CID79271342
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[cycloheptylcarbamoyl(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NC1CCCCCC1
InChIInChI=1S/C13H24N2O4/c1-19-9-8-15(10-12(16)17)13(18)14-11-6-4-2-3-5-7-11/h11H,2-10H2,1H3,(H,14,18)(H,16,17)
InChIKeyADRKJKXBUWFBHL-UHFFFAOYSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclobutylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269687
2-[2-methoxyethyl(oxan-3-ylcarbamoyl)amino]acetic acid
CID 79270376
ethyl 2-[cyclohexylcarbamoyl(2-methoxyethyl)amino]acetate
CID 115585865
2-[(3,4-dimethylcyclohexyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272291
N-cyclohexyl-N',N'-bis(2-methoxyethyl)oxamide
CID 108504409
2-[(2,3-dimethylcyclohexyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272617
2-[acetyl(2-methoxyethyl)amino]-N-cyclohexylacetamide
CID 113159800
2-[cyclopropylmethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269872
2-[(2-amino-2-oxoethyl)-(cyclooctylcarbamoyl)amino]acetic acid
CID 107437429
2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271649
3-cyclohexyl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea
CID 71686959
2-[(4-ethylcyclohexyl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271258

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptylcarbamoyl(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[cycloheptylcarbamoyl(2-methoxyethyl)amino]acetic acid (CID 79271342) is 2-[cycloheptylcarbamoyl(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[cycloheptylcarbamoyl(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[cycloheptylcarbamoyl(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)NC1CCCCCC1.
What is the InChIKey of 2-[cycloheptylcarbamoyl(2-methoxyethyl)amino]acetic acid?
The InChIKey is ADRKJKXBUWFBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-19-9-8-15(10-12(16)17)13(18)14-11-6-4-2-3-5-7-11/h11H,2-10H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[cycloheptylcarbamoyl(2-methoxyethyl)amino]acetic acid?
2-[cycloheptylcarbamoyl(2-methoxyethyl)amino]acetic acid has a molecular weight of 272.34 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptylcarbamoyl(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 79271342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).