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

C10H18N2O4 — CID 79269687

IUPAC2-[cyclobutylcarbamoyl(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NC1CCC1
InChIInChI=1S/C10H18N2O4/c1-16-6-5-12(7-9(13)14)10(15)11-8-3-2-4-8/h8H,2-7H2,1H3,(H,11,15)(H,13,14)
InChIKeyOFIRQICEAFYRHH-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.28
Rot. Bonds6

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

2-[cyclobutylcarbamoyl(2-methoxyethyl)amino]acetic acid (PubChem CID 79269687) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[cyclobutylcarbamoyl(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclobutylcarbamoyl(2-methoxyethyl)amino]acetic acid
PubChem CID79269687
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[cyclobutylcarbamoyl(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NC1CCC1
InChIInChI=1S/C10H18N2O4/c1-16-6-5-12(7-9(13)14)10(15)11-8-3-2-4-8/h8H,2-7H2,1H3,(H,11,15)(H,13,14)
InChIKeyOFIRQICEAFYRHH-UHFFFAOYSA-N
XLogP0.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cycloheptylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79271342
2-[2-methoxyethyl(oxan-3-ylcarbamoyl)amino]acetic acid
CID 79270376
2-[(3,4-dimethylcyclohexyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272291
2-[(2,3-dimethylcyclohexyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272617
ethyl 2-[cyclohexylcarbamoyl(2-methoxyethyl)amino]acetate
CID 115585865
2-[cyclopropylmethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269872
2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271649
2-[(4-ethylcyclohexyl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271258
N-cyclohexyl-N',N'-bis(2-methoxyethyl)oxamide
CID 108504409
2-[acetyl(2-methoxyethyl)amino]-N-cyclohexylacetamide
CID 113159800
3-cyclobutyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea
CID 115642256
2-[(2-amino-2-oxoethyl)-(cyclooctylcarbamoyl)amino]acetic acid
CID 107437429

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutylcarbamoyl(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[cyclobutylcarbamoyl(2-methoxyethyl)amino]acetic acid (CID 79269687) is 2-[cyclobutylcarbamoyl(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclobutylcarbamoyl(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[cyclobutylcarbamoyl(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)NC1CCC1.
What is the InChIKey of 2-[cyclobutylcarbamoyl(2-methoxyethyl)amino]acetic acid?
The InChIKey is OFIRQICEAFYRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-16-6-5-12(7-9(13)14)10(15)11-8-3-2-4-8/h8H,2-7H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 2-[cyclobutylcarbamoyl(2-methoxyethyl)amino]acetic acid?
2-[cyclobutylcarbamoyl(2-methoxyethyl)amino]acetic acid has a molecular weight of 230.26 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylcarbamoyl(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 79269687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).