2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]butanoic acid

C10H15N3O4 — CID 81177239

IUPAC2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]butanoic acid
SMILESCCC(CNC(=O)NCc1ccon1)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-2-7(9(14)15)5-11-10(16)12-6-8-3-4-17-13-8/h3-4,7H,2,5-6H2,1H3,(H,14,15)(H2,11,12,16)
InChIKeyRRDHKLBYKQJZIP-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.58
Rot. Bonds6

About 2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]butanoic acid

2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]butanoic acid (PubChem CID 81177239) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]butanoic acid
PubChem CID81177239
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]butanoic acid
SMILESCCC(CNC(=O)NCc1ccon1)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-2-7(9(14)15)5-11-10(16)12-6-8-3-4-17-13-8/h3-4,7H,2,5-6H2,1H3,(H,14,15)(H2,11,12,16)
InChIKeyRRDHKLBYKQJZIP-UHFFFAOYSA-N
XLogP0.58
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-oxazol-3-ylmethyl)-3-propylurea
CID 115672343
2-[(pyridazin-3-ylmethylcarbamoylamino)methyl]butanoic acid
CID 106897275
2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65217978
1-(2-hydroxy-3-phenylpropyl)-3-(1,2-oxazol-3-ylmethyl)urea
CID 111603989
2-[(pyridin-3-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65218846
1-amino-3-(1,2-oxazol-3-ylmethyl)urea
CID 81177768
ethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate
CID 79493406
2-[butan-2-yl(1,2-oxazol-3-ylmethylcarbamoyl)amino]acetic acid
CID 81178150
2-[[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 106404733
2-chloro-N-(1,2-oxazol-3-ylmethylcarbamoyl)propanamide
CID 81177144
7-(1,2-oxazol-3-ylmethylcarbamoylamino)heptanoic acid
CID 81177356
2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325404

Frequently Asked Questions

What is the IUPAC name of 2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]butanoic acid?
The IUPAC name of 2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]butanoic acid (CID 81177239) is 2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]butanoic acid.
What is the SMILES notation for 2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]butanoic acid?
The canonical SMILES for 2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]butanoic acid is CCC(CNC(=O)NCc1ccon1)C(=O)O.
What is the InChIKey of 2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]butanoic acid?
The InChIKey is RRDHKLBYKQJZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-2-7(9(14)15)5-11-10(16)12-6-8-3-4-17-13-8/h3-4,7H,2,5-6H2,1H3,(H,14,15)(H2,11,12,16).
What are the key properties of 2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]butanoic acid?
2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]butanoic acid has a molecular weight of 241.25 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]butanoic acid is sourced from PubChem (CID 81177239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).