2-amino-4-(carbamoylamino)oxybutanoic acid

C5H11N3O4 — CID 21126175

IUPAC2-amino-4-(carbamoylamino)oxybutanoic acid
SMILESNC(=O)NOCCC(N)C(=O)O
InChIInChI=1S/C5H11N3O4/c6-3(4(9)10)1-2-12-8-5(7)11/h3H,1-2,6H2,(H,9,10)(H3,7,8,11)
InChIKeySFYVZOSIAIZWQU-UHFFFAOYSA-N
MW177.16 g/mol
LogP-1.61
Rot. Bonds5

About 2-amino-4-(carbamoylamino)oxybutanoic acid

2-amino-4-(carbamoylamino)oxybutanoic acid (PubChem CID 21126175) has the molecular formula C5H11N3O4 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-amino-4-(carbamoylamino)oxybutanoic acid.

Molecular Properties

Compound Name2-amino-4-(carbamoylamino)oxybutanoic acid
PubChem CID21126175
Molecular FormulaC5H11N3O4
Molecular Weight177.16 g/mol
Exact Mass177.07
IUPAC Name2-amino-4-(carbamoylamino)oxybutanoic acid
SMILESNC(=O)NOCCC(N)C(=O)O
InChIInChI=1S/C5H11N3O4/c6-3(4(9)10)1-2-12-8-5(7)11/h3H,1-2,6H2,(H,9,10)(H3,7,8,11)
InChIKeySFYVZOSIAIZWQU-UHFFFAOYSA-N
XLogP-1.61
TPSA127.67 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-1.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(carbamoylamino)oxybutanoic acid?
The IUPAC name of 2-amino-4-(carbamoylamino)oxybutanoic acid (CID 21126175) is 2-amino-4-(carbamoylamino)oxybutanoic acid.
What is the SMILES notation for 2-amino-4-(carbamoylamino)oxybutanoic acid?
The canonical SMILES for 2-amino-4-(carbamoylamino)oxybutanoic acid is NC(=O)NOCCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-(carbamoylamino)oxybutanoic acid?
The InChIKey is SFYVZOSIAIZWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O4/c6-3(4(9)10)1-2-12-8-5(7)11/h3H,1-2,6H2,(H,9,10)(H3,7,8,11).
What are the key properties of 2-amino-4-(carbamoylamino)oxybutanoic acid?
2-amino-4-(carbamoylamino)oxybutanoic acid has a molecular weight of 177.16 g/mol, XLogP of -1.61, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(carbamoylamino)oxybutanoic acid is sourced from PubChem (CID 21126175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).