2-[1,2-oxazol-5-ylmethylcarbamoyl(propyl)amino]acetic acid

C10H15N3O4 — CID 106421256

IUPAC2-[1,2-oxazol-5-ylmethylcarbamoyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)NCc1ccno1
InChIInChI=1S/C10H15N3O4/c1-2-5-13(7-9(14)15)10(16)11-6-8-3-4-12-17-8/h3-4H,2,5-7H2,1H3,(H,11,16)(H,14,15)
InChIKeyVAUFIAXGMUDMFV-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.68
Rot. Bonds6

About 2-[1,2-oxazol-5-ylmethylcarbamoyl(propyl)amino]acetic acid

2-[1,2-oxazol-5-ylmethylcarbamoyl(propyl)amino]acetic acid (PubChem CID 106421256) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[1,2-oxazol-5-ylmethylcarbamoyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1,2-oxazol-5-ylmethylcarbamoyl(propyl)amino]acetic acid
PubChem CID106421256
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-[1,2-oxazol-5-ylmethylcarbamoyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)NCc1ccno1
InChIInChI=1S/C10H15N3O4/c1-2-5-13(7-9(14)15)10(16)11-6-8-3-4-12-17-8/h3-4H,2,5-7H2,1H3,(H,11,16)(H,14,15)
InChIKeyVAUFIAXGMUDMFV-UHFFFAOYSA-N
XLogP0.68
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1,2-oxazol-5-ylmethylcarbamoyl(prop-2-ynyl)amino]acetic acid
CID 106421103
2-[1,2-oxazol-3-ylmethylcarbamoyl(propyl)amino]acetic acid
CID 81177360
2-[cyclopentyl(1,2-oxazol-5-ylmethylcarbamoyl)amino]acetic acid
CID 106421064
2-[(3-ethyl-2-pyridinyl)methylcarbamoyl-propylamino]acetic acid
CID 82749531
2-[(4-bromophenyl)methylcarbamoyl-propylamino]acetic acid
CID 61194395
2-[(2-methylphenyl)methylcarbamoyl-propylamino]acetic acid
CID 54978487
N-(1,2-oxazol-5-ylmethyl)acetamide
CID 103939766
2-[(3-bromophenyl)methylcarbamoyl-propylamino]acetic acid
CID 61414401
2-methyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid
CID 106420969
2-(1,2-oxazol-5-ylmethylcarbamoylamino)pentanoic acid
CID 106421246
2-(1,2-oxazol-5-ylmethylamino)acetic acid
CID 43466227
2-[butylcarbamoyl(propyl)amino]acetic acid
CID 61008492

Frequently Asked Questions

What is the IUPAC name of 2-[1,2-oxazol-5-ylmethylcarbamoyl(propyl)amino]acetic acid?
The IUPAC name of 2-[1,2-oxazol-5-ylmethylcarbamoyl(propyl)amino]acetic acid (CID 106421256) is 2-[1,2-oxazol-5-ylmethylcarbamoyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[1,2-oxazol-5-ylmethylcarbamoyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[1,2-oxazol-5-ylmethylcarbamoyl(propyl)amino]acetic acid is CCCN(CC(=O)O)C(=O)NCc1ccno1.
What is the InChIKey of 2-[1,2-oxazol-5-ylmethylcarbamoyl(propyl)amino]acetic acid?
The InChIKey is VAUFIAXGMUDMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-2-5-13(7-9(14)15)10(16)11-6-8-3-4-12-17-8/h3-4H,2,5-7H2,1H3,(H,11,16)(H,14,15).
What are the key properties of 2-[1,2-oxazol-5-ylmethylcarbamoyl(propyl)amino]acetic acid?
2-[1,2-oxazol-5-ylmethylcarbamoyl(propyl)amino]acetic acid has a molecular weight of 241.25 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-oxazol-5-ylmethylcarbamoyl(propyl)amino]acetic acid is sourced from PubChem (CID 106421256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).