2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetyl]amino]acetic acid

C11H16N4O5 — CID 106374923

IUPAC2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetyl]amino]acetic acid
SMILESCc1nc(CNC(=O)NCC(=O)NCC(=O)O)oc1C
InChIInChI=1S/C11H16N4O5/c1-6-7(2)20-9(15-6)4-14-11(19)13-3-8(16)12-5-10(17)18/h3-5H2,1-2H3,(H,12,16)(H,17,18)(H2,13,14,19)
InChIKeyGAOCVLSYILJPDR-UHFFFAOYSA-N
MW284.27 g/mol
LogP-0.71
Rot. Bonds6

About 2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetyl]amino]acetic acid

2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetyl]amino]acetic acid (PubChem CID 106374923) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetyl]amino]acetic acid
PubChem CID106374923
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetyl]amino]acetic acid
SMILESCc1nc(CNC(=O)NCC(=O)NCC(=O)O)oc1C
InChIInChI=1S/C11H16N4O5/c1-6-7(2)20-9(15-6)4-14-11(19)13-3-8(16)12-5-10(17)18/h3-5H2,1-2H3,(H,12,16)(H,17,18)(H2,13,14,19)
InChIKeyGAOCVLSYILJPDR-UHFFFAOYSA-N
XLogP-0.71
TPSA133.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetyl]amino]acetic acid with MolForge

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Related Compounds

6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-6-oxohexanoic acid
CID 106370238
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-prop-2-enylurea
CID 47360072
1-tert-butyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 103752681
5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 106703129
2-[1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106370228
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 106371733
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335717
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid
CID 106374600
2-cyano-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 104696925
2-[[N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide
CID 109429021
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropanecarboxamide
CID 103623190
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75517881

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetyl]amino]acetic acid (CID 106374923) is 2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetyl]amino]acetic acid is Cc1nc(CNC(=O)NCC(=O)NCC(=O)O)oc1C.
What is the InChIKey of 2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetyl]amino]acetic acid?
The InChIKey is GAOCVLSYILJPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5/c1-6-7(2)20-9(15-6)4-14-11(19)13-3-8(16)12-5-10(17)18/h3-5H2,1-2H3,(H,12,16)(H,17,18)(H2,13,14,19).
What are the key properties of 2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetyl]amino]acetic acid?
2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetyl]amino]acetic acid has a molecular weight of 284.27 g/mol, XLogP of -0.71, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 106374923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).