2-[(2-amino-2-oxoethyl)-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid

C13H23N3O4 — CID 107437733

IUPAC2-[(2-amino-2-oxoethyl)-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid
SMILESCC1CCCC(NC(=O)N(CC(N)=O)CC(=O)O)C1C
InChIInChI=1S/C13H23N3O4/c1-8-4-3-5-10(9(8)2)15-13(20)16(6-11(14)17)7-12(18)19/h8-10H,3-7H2,1-2H3,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyLYPZERGBFDMDOH-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.39
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid (PubChem CID 107437733) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid
PubChem CID107437733
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[(2-amino-2-oxoethyl)-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid
SMILESCC1CCCC(NC(=O)N(CC(N)=O)CC(=O)O)C1C
InChIInChI=1S/C13H23N3O4/c1-8-4-3-5-10(9(8)2)15-13(20)16(6-11(14)17)7-12(18)19/h8-10H,3-7H2,1-2H3,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyLYPZERGBFDMDOH-UHFFFAOYSA-N
XLogP0.39
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 ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid (CID 107437733) is 2-[(2-amino-2-oxoethyl)-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid is CC1CCCC(NC(=O)N(CC(N)=O)CC(=O)O)C1C.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid?
The InChIKey is LYPZERGBFDMDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-8-4-3-5-10(9(8)2)15-13(20)16(6-11(14)17)7-12(18)19/h8-10H,3-7H2,1-2H3,(H2,14,17)(H,15,20)(H,18,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid has a molecular weight of 285.34 g/mol, XLogP of 0.39, 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)-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 107437733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).