2-[(2-amino-2-oxoethyl)-(cyclooctylcarbamoyl)amino]acetic acid

C13H23N3O4 — CID 107437429

IUPAC2-[(2-amino-2-oxoethyl)-(cyclooctylcarbamoyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)NC1CCCCCCC1
InChIInChI=1S/C13H23N3O4/c14-11(17)8-16(9-12(18)19)13(20)15-10-6-4-2-1-3-5-7-10/h10H,1-9H2,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyCLGWDTXHISYKMW-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.68
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)-(cyclooctylcarbamoyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(cyclooctylcarbamoyl)amino]acetic acid (PubChem CID 107437429) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(cyclooctylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(cyclooctylcarbamoyl)amino]acetic acid
PubChem CID107437429
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[(2-amino-2-oxoethyl)-(cyclooctylcarbamoyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)NC1CCCCCCC1
InChIInChI=1S/C13H23N3O4/c14-11(17)8-16(9-12(18)19)13(20)15-10-6-4-2-1-3-5-7-10/h10H,1-9H2,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyCLGWDTXHISYKMW-UHFFFAOYSA-N
XLogP0.68
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexylcarbamoyl(ethyl)amino]acetamide
CID 103101665
2-[cycloheptylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79271342
2-[(2-amino-2-oxoethyl)-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]amino]acetic acid
CID 107438508
2-[(2-amino-2-oxoethyl)-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid
CID 107437733
2-[cyclopentylcarbamoyl(cyclopropyl)amino]acetic acid
CID 61187386
2-[carboxymethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid
CID 63645788
2-[cyclobutylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269687
2-[(2-amino-2-oxoethyl)-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)amino]acetic acid
CID 107439048
2-[carboxymethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid
CID 114548922
2-[butan-2-yl(cyclohexylcarbamoyl)amino]acetic acid
CID 60828429
1-(2-amino-2-hydroxyiminoethyl)-3-cyclobutyl-1-ethylurea
CID 104892229
3-cyclohexyl-1-ethyl-1-(2-methylprop-2-enyl)urea
CID 115573886

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(cyclooctylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(cyclooctylcarbamoyl)amino]acetic acid (CID 107437429) is 2-[(2-amino-2-oxoethyl)-(cyclooctylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(cyclooctylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(cyclooctylcarbamoyl)amino]acetic acid is NC(=O)CN(CC(=O)O)C(=O)NC1CCCCCCC1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(cyclooctylcarbamoyl)amino]acetic acid?
The InChIKey is CLGWDTXHISYKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c14-11(17)8-16(9-12(18)19)13(20)15-10-6-4-2-1-3-5-7-10/h10H,1-9H2,(H2,14,17)(H,15,20)(H,18,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(cyclooctylcarbamoyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(cyclooctylcarbamoyl)amino]acetic acid has a molecular weight of 285.34 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(cyclooctylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 107437429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).