3-[(5-amino-1,2-oxazole-4-carbonyl)amino]propanoic acid

C7H9N3O4 — CID 115021600

IUPAC3-[(5-amino-1,2-oxazole-4-carbonyl)amino]propanoic acid
SMILESNc1oncc1C(=O)NCCC(=O)O
InChIInChI=1S/C7H9N3O4/c8-6-4(3-10-14-6)7(13)9-2-1-5(11)12/h3H,1-2,8H2,(H,9,13)(H,11,12)
InChIKeyKNYZBCYHMGYUKZ-UHFFFAOYSA-N
MW199.17 g/mol
LogP-0.54
Rot. Bonds4

About 3-[(5-amino-1,2-oxazole-4-carbonyl)amino]propanoic acid

3-[(5-amino-1,2-oxazole-4-carbonyl)amino]propanoic acid (PubChem CID 115021600) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is 3-[(5-amino-1,2-oxazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(5-amino-1,2-oxazole-4-carbonyl)amino]propanoic acid
PubChem CID115021600
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name3-[(5-amino-1,2-oxazole-4-carbonyl)amino]propanoic acid
SMILESNc1oncc1C(=O)NCCC(=O)O
InChIInChI=1S/C7H9N3O4/c8-6-4(3-10-14-6)7(13)9-2-1-5(11)12/h3H,1-2,8H2,(H,9,13)(H,11,12)
InChIKeyKNYZBCYHMGYUKZ-UHFFFAOYSA-N
XLogP-0.54
TPSA118.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 66334474
4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 66334475
N-(2-acetamidoethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682601
3-[(2,3-dihydroxybenzoyl)amino]propanoic acid
CID 114343241
3-(pyrimidine-2-carbonylamino)propanoic acid
CID 115730014
ethyl 5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoate
CID 15007138
6-[(5-amino-1H-pyrazole-4-carbonyl)amino]hexanoic acid
CID 110484163
3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 43354670
N-[2-(ethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 62657278
N-(3-amino-3-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 80506645
3-[(3-hydroxy-2-methylbenzoyl)amino]propanoic acid
CID 82827188
3-[(5-formylfuran-2-carbonyl)amino]propanoic acid
CID 87419090

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1,2-oxazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(5-amino-1,2-oxazole-4-carbonyl)amino]propanoic acid (CID 115021600) is 3-[(5-amino-1,2-oxazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(5-amino-1,2-oxazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(5-amino-1,2-oxazole-4-carbonyl)amino]propanoic acid is Nc1oncc1C(=O)NCCC(=O)O.
What is the InChIKey of 3-[(5-amino-1,2-oxazole-4-carbonyl)amino]propanoic acid?
The InChIKey is KNYZBCYHMGYUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c8-6-4(3-10-14-6)7(13)9-2-1-5(11)12/h3H,1-2,8H2,(H,9,13)(H,11,12).
What are the key properties of 3-[(5-amino-1,2-oxazole-4-carbonyl)amino]propanoic acid?
3-[(5-amino-1,2-oxazole-4-carbonyl)amino]propanoic acid has a molecular weight of 199.17 g/mol, XLogP of -0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1,2-oxazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 115021600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).