2-[(2-amino-2-oxoethyl)-[1-(carbamoylamino)-1-oxopropan-2-yl]amino]acetic acid

C8H14N4O5 — CID 107440766

IUPAC2-[(2-amino-2-oxoethyl)-[1-(carbamoylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCC(C(=O)NC(N)=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C8H14N4O5/c1-4(7(16)11-8(10)17)12(2-5(9)13)3-6(14)15/h4H,2-3H2,1H3,(H2,9,13)(H,14,15)(H3,10,11,16,17)
InChIKeyZAWGCTWVAIZBBR-UHFFFAOYSA-N
MW246.22 g/mol
LogP-2.56
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-[1-(carbamoylamino)-1-oxopropan-2-yl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[1-(carbamoylamino)-1-oxopropan-2-yl]amino]acetic acid (PubChem CID 107440766) has the molecular formula C8H14N4O5 and a molecular weight of 246.22 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[1-(carbamoylamino)-1-oxopropan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[1-(carbamoylamino)-1-oxopropan-2-yl]amino]acetic acid
PubChem CID107440766
Molecular FormulaC8H14N4O5
Molecular Weight246.22 g/mol
Exact Mass246.10
IUPAC Name2-[(2-amino-2-oxoethyl)-[1-(carbamoylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCC(C(=O)NC(N)=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C8H14N4O5/c1-4(7(16)11-8(10)17)12(2-5(9)13)3-6(14)15/h4H,2-3H2,1H3,(H2,9,13)(H,14,15)(H3,10,11,16,17)
InChIKeyZAWGCTWVAIZBBR-UHFFFAOYSA-N
XLogP-2.56
TPSA155.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 5-2.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[(2-amino-2-oxoethyl)-[1-(carbamoylamino)-1-oxopropan-2-yl]amino]acetic acid with MolForge

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Related Compounds

2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid
CID 63065381
2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid
CID 54968906
2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid
CID 122536186
2-[(2-amino-2-oxoethyl)-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107440476
2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 63646159
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(carboxymethyl)amino]acetic acid
CID 63645143
2-[(2-amino-2-oxoethyl)-(1-cyanoethyl)amino]acetic acid
CID 107440314
2-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-propylamino]acetic acid
CID 54899159
2-[(2-amino-2-oxoethyl)-(1-amino-1-sulfanylidenepropan-2-yl)amino]acetamide
CID 62922956
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-carbamoylpropanamide
CID 107494446
2-[(1-amino-1-oxopropan-2-yl)-propylamino]acetic acid
CID 61008085
2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 55244223

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[1-(carbamoylamino)-1-oxopropan-2-yl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[1-(carbamoylamino)-1-oxopropan-2-yl]amino]acetic acid (CID 107440766) is 2-[(2-amino-2-oxoethyl)-[1-(carbamoylamino)-1-oxopropan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[1-(carbamoylamino)-1-oxopropan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[1-(carbamoylamino)-1-oxopropan-2-yl]amino]acetic acid is CC(C(=O)NC(N)=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[1-(carbamoylamino)-1-oxopropan-2-yl]amino]acetic acid?
The InChIKey is ZAWGCTWVAIZBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O5/c1-4(7(16)11-8(10)17)12(2-5(9)13)3-6(14)15/h4H,2-3H2,1H3,(H2,9,13)(H,14,15)(H3,10,11,16,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[1-(carbamoylamino)-1-oxopropan-2-yl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[1-(carbamoylamino)-1-oxopropan-2-yl]amino]acetic acid has a molecular weight of 246.22 g/mol, XLogP of -2.56, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[1-(carbamoylamino)-1-oxopropan-2-yl]amino]acetic acid is sourced from PubChem (CID 107440766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).