2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid

C8H11N3O4 — CID 106374600

IUPAC2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid
SMILESCc1cnc(CNC(=O)NCC(=O)O)o1
InChIInChI=1S/C8H11N3O4/c1-5-2-9-6(15-5)3-10-8(14)11-4-7(12)13/h2H,3-4H2,1H3,(H,12,13)(H2,10,11,14)
InChIKeyMTKQQVRXYMFMTJ-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.13
Rot. Bonds4

About 2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid

2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid (PubChem CID 106374600) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid
PubChem CID106374600
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid
SMILESCc1cnc(CNC(=O)NCC(=O)O)o1
InChIInChI=1S/C8H11N3O4/c1-5-2-9-6(15-5)3-10-8(14)11-4-7(12)13/h2H,3-4H2,1H3,(H,12,13)(H2,10,11,14)
InChIKeyMTKQQVRXYMFMTJ-UHFFFAOYSA-N
XLogP-0.13
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 103738715
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 106372016
2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid
CID 106374475
1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopropane-1-carboxylic acid
CID 106374467
3-methoxy-4-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 114180678
2-[1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopentyl]acetic acid
CID 106374503
5-methyl-3-[[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]methyl]hexanoic acid
CID 106374847
2-[carboxymethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]acetic acid
CID 114180679
(2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374415
2,2,3-trimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374565
3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanoic acid
CID 106374501
(2S)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanedioic acid
CID 106374550

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid?
The IUPAC name of 2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid (CID 106374600) is 2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid?
The canonical SMILES for 2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid is Cc1cnc(CNC(=O)NCC(=O)O)o1.
What is the InChIKey of 2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid?
The InChIKey is MTKQQVRXYMFMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-5-2-9-6(15-5)3-10-8(14)11-4-7(12)13/h2H,3-4H2,1H3,(H,12,13)(H2,10,11,14).
What are the key properties of 2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid?
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid has a molecular weight of 213.19 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid is sourced from PubChem (CID 106374600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).