2-[(2-amino-2-oxoethyl)-[ethyl(methyl)carbamoyl]amino]acetic acid

C8H15N3O4 — CID 107435153

IUPAC2-[(2-amino-2-oxoethyl)-[ethyl(methyl)carbamoyl]amino]acetic acid
SMILESCCN(C)C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C8H15N3O4/c1-3-10(2)8(15)11(4-6(9)12)5-7(13)14/h3-5H2,1-2H3,(H2,9,12)(H,13,14)
InChIKeyALCNYMZWBDAOQR-UHFFFAOYSA-N
MW217.22 g/mol
LogP-1.07
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)-[ethyl(methyl)carbamoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[ethyl(methyl)carbamoyl]amino]acetic acid (PubChem CID 107435153) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[ethyl(methyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[ethyl(methyl)carbamoyl]amino]acetic acid
PubChem CID107435153
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Name2-[(2-amino-2-oxoethyl)-[ethyl(methyl)carbamoyl]amino]acetic acid
SMILESCCN(C)C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C8H15N3O4/c1-3-10(2)8(15)11(4-6(9)12)5-7(13)14/h3-5H2,1-2H3,(H2,9,12)(H,13,14)
InChIKeyALCNYMZWBDAOQR-UHFFFAOYSA-N
XLogP-1.07
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-oxoethyl)-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid
CID 107438237
2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid
CID 62923700
2-[[ethyl(methyl)carbamoyl]-(2-methylpropyl)amino]acetamide
CID 116655061
2-[(2-amino-2-oxoethyl)-[3-hydroxybutyl(methyl)carbamoyl]amino]acetic acid
CID 107439316
2-[(2-amino-2-oxoethyl)-[methyl(2-methylsulfanylethyl)carbamoyl]amino]acetic acid
CID 107439170
2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
CID 107438105
2-[(2-amino-2-oxoethyl)-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid
CID 107438233
2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid
CID 107437530
2-[(2-amino-2-oxoethyl)-[2-cyanopropyl(methyl)carbamoyl]amino]acetic acid
CID 107438398
2-[(2-amino-2-oxoethyl)-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]acetic acid
CID 107438458
2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-methylamino]acetic acid
CID 55003671
2-[(2-amino-2-oxoethyl)-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]acetic acid
CID 107438385

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[ethyl(methyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[ethyl(methyl)carbamoyl]amino]acetic acid (CID 107435153) is 2-[(2-amino-2-oxoethyl)-[ethyl(methyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[ethyl(methyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[ethyl(methyl)carbamoyl]amino]acetic acid is CCN(C)C(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[ethyl(methyl)carbamoyl]amino]acetic acid?
The InChIKey is ALCNYMZWBDAOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4/c1-3-10(2)8(15)11(4-6(9)12)5-7(13)14/h3-5H2,1-2H3,(H2,9,12)(H,13,14).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[ethyl(methyl)carbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[ethyl(methyl)carbamoyl]amino]acetic acid has a molecular weight of 217.22 g/mol, XLogP of -1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[ethyl(methyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 107435153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).