2-[[2-(1,2-oxazol-5-ylmethylcarbamoylamino)acetyl]amino]acetic acid

C9H12N4O5 — CID 106421005

IUPAC2-[[2-(1,2-oxazol-5-ylmethylcarbamoylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)NCc1ccno1
InChIInChI=1S/C9H12N4O5/c14-7(10-5-8(15)16)4-12-9(17)11-3-6-1-2-13-18-6/h1-2H,3-5H2,(H,10,14)(H,15,16)(H2,11,12,17)
InChIKeyDDZWHKOIVWGEIG-UHFFFAOYSA-N
MW256.22 g/mol
LogP-1.33
Rot. Bonds6

About 2-[[2-(1,2-oxazol-5-ylmethylcarbamoylamino)acetyl]amino]acetic acid

2-[[2-(1,2-oxazol-5-ylmethylcarbamoylamino)acetyl]amino]acetic acid (PubChem CID 106421005) has the molecular formula C9H12N4O5 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2-[[2-(1,2-oxazol-5-ylmethylcarbamoylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(1,2-oxazol-5-ylmethylcarbamoylamino)acetyl]amino]acetic acid
PubChem CID106421005
Molecular FormulaC9H12N4O5
Molecular Weight256.22 g/mol
Exact Mass256.08
IUPAC Name2-[[2-(1,2-oxazol-5-ylmethylcarbamoylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)NCc1ccno1
InChIInChI=1S/C9H12N4O5/c14-7(10-5-8(15)16)4-12-9(17)11-3-6-1-2-13-18-6/h1-2H,3-5H2,(H,10,14)(H,15,16)(H2,11,12,17)
InChIKeyDDZWHKOIVWGEIG-UHFFFAOYSA-N
XLogP-1.33
TPSA133.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 5-1.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,2-oxazol-5-ylmethylcarbamoylamino)-4-oxobutanoic acid
CID 106419406
2-(1,2-oxazol-5-ylmethylamino)acetic acid
CID 43466227
N-(1,2-oxazol-5-ylmethyl)acetamide
CID 103939766
6-(1,2-oxazol-5-ylmethylamino)-6-oxohexanoic acid
CID 106414801
2-(tert-butylamino)-N-(1,2-oxazol-5-ylmethyl)acetamide
CID 104600446
1-butyl-3-(1,2-oxazol-5-ylmethyl)urea
CID 106415574
3-methyl-3-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid
CID 106421030
2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid
CID 61181658
1-tert-butyl-3-(1,2-oxazol-5-ylmethyl)urea
CID 106415604
2-methyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid
CID 106420969
2-[[2-(pyridazin-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 106897218
2-[(1,2-oxazol-5-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 106421045

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,2-oxazol-5-ylmethylcarbamoylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(1,2-oxazol-5-ylmethylcarbamoylamino)acetyl]amino]acetic acid (CID 106421005) is 2-[[2-(1,2-oxazol-5-ylmethylcarbamoylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(1,2-oxazol-5-ylmethylcarbamoylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(1,2-oxazol-5-ylmethylcarbamoylamino)acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)NCc1ccno1.
What is the InChIKey of 2-[[2-(1,2-oxazol-5-ylmethylcarbamoylamino)acetyl]amino]acetic acid?
The InChIKey is DDZWHKOIVWGEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O5/c14-7(10-5-8(15)16)4-12-9(17)11-3-6-1-2-13-18-6/h1-2H,3-5H2,(H,10,14)(H,15,16)(H2,11,12,17).
What are the key properties of 2-[[2-(1,2-oxazol-5-ylmethylcarbamoylamino)acetyl]amino]acetic acid?
2-[[2-(1,2-oxazol-5-ylmethylcarbamoylamino)acetyl]amino]acetic acid has a molecular weight of 256.22 g/mol, XLogP of -1.33, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,2-oxazol-5-ylmethylcarbamoylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 106421005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).