4-amino-2-[(2-azaniumylacetyl)amino]-4-oxobutanoate

C6H11N3O4 — CID 4320045

IUPAC4-amino-2-[(2-azaniumylacetyl)amino]-4-oxobutanoate
SMILESNC(=O)CC(NC(=O)C[NH3+])C(=O)[O-]
InChIInChI=1S/C6H11N3O4/c7-2-5(11)9-3(6(12)13)1-4(8)10/h3H,1-2,7H2,(H2,8,10)(H,9,11)(H,12,13)
InChIKeyFUESBOMYALLFNI-UHFFFAOYSA-N
MW189.17 g/mol
LogP-4.66
Rot. Bonds5

About 4-amino-2-[(2-azaniumylacetyl)amino]-4-oxobutanoate

4-amino-2-[(2-azaniumylacetyl)amino]-4-oxobutanoate (PubChem CID 4320045) has the molecular formula C6H11N3O4 and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-amino-2-[(2-azaniumylacetyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Name4-amino-2-[(2-azaniumylacetyl)amino]-4-oxobutanoate
PubChem CID4320045
Molecular FormulaC6H11N3O4
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name4-amino-2-[(2-azaniumylacetyl)amino]-4-oxobutanoate
SMILESNC(=O)CC(NC(=O)C[NH3+])C(=O)[O-]
InChIInChI=1S/C6H11N3O4/c7-2-5(11)9-3(6(12)13)1-4(8)10/h3H,1-2,7H2,(H2,8,10)(H,9,11)(H,12,13)
InChIKeyFUESBOMYALLFNI-UHFFFAOYSA-N
XLogP-4.66
TPSA139.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-4.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Aspartylglycine
CID 151148
Glycyl-L-aspartic acid
CID 97363
N-Acetylasparagine
CID 99715
Glycyl-L-asparagine
CID 99282
beta-L-Aspartylglycine
CID 302430
(3S)-3-amino-3-((carboxymethyl)carbamoyl)propanoic acid
CID 302429
Aspartyl-aspartic acid
CID 471583
Glycyl-dl-aspartic acid
CID 273261
NoName_1308
CID 332965
Asn-Asp
CID 25145403
beta-Aspartylaspartic acid
CID 274178
Ala-Asn
CID 1549441

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2-azaniumylacetyl)amino]-4-oxobutanoate?
The IUPAC name of 4-amino-2-[(2-azaniumylacetyl)amino]-4-oxobutanoate (CID 4320045) is 4-amino-2-[(2-azaniumylacetyl)amino]-4-oxobutanoate.
What is the SMILES notation for 4-amino-2-[(2-azaniumylacetyl)amino]-4-oxobutanoate?
The canonical SMILES for 4-amino-2-[(2-azaniumylacetyl)amino]-4-oxobutanoate is NC(=O)CC(NC(=O)C[NH3+])C(=O)[O-].
What is the InChIKey of 4-amino-2-[(2-azaniumylacetyl)amino]-4-oxobutanoate?
The InChIKey is FUESBOMYALLFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O4/c7-2-5(11)9-3(6(12)13)1-4(8)10/h3H,1-2,7H2,(H2,8,10)(H,9,11)(H,12,13).
What are the key properties of 4-amino-2-[(2-azaniumylacetyl)amino]-4-oxobutanoate?
4-amino-2-[(2-azaniumylacetyl)amino]-4-oxobutanoate has a molecular weight of 189.17 g/mol, XLogP of -4.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2-azaniumylacetyl)amino]-4-oxobutanoate is sourced from PubChem (CID 4320045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).