2-[(2-amino-2-oxoethyl)-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]amino]acetic acid

C10H14N4O5 — CID 107438527

IUPAC2-[(2-amino-2-oxoethyl)-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]amino]acetic acid
SMILESCc1cc(CNC(=O)N(CC(N)=O)CC(=O)O)on1
InChIInChI=1S/C10H14N4O5/c1-6-2-7(19-13-6)3-12-10(18)14(4-8(11)15)5-9(16)17/h2H,3-5H2,1H3,(H2,11,15)(H,12,18)(H,16,17)
InChIKeyKSMTZOOLUYSEHT-UHFFFAOYSA-N
MW270.24 g/mol
LogP-0.94
Rot. Bonds6

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

2-[(2-amino-2-oxoethyl)-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]amino]acetic acid (PubChem CID 107438527) has the molecular formula C10H14N4O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]amino]acetic acid
PubChem CID107438527
Molecular FormulaC10H14N4O5
Molecular Weight270.24 g/mol
Exact Mass270.10
IUPAC Name2-[(2-amino-2-oxoethyl)-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]amino]acetic acid
SMILESCc1cc(CNC(=O)N(CC(N)=O)CC(=O)O)on1
InChIInChI=1S/C10H14N4O5/c1-6-2-7(19-13-6)3-12-10(18)14(4-8(11)15)5-9(16)17/h2H,3-5H2,1H3,(H2,11,15)(H,12,18)(H,16,17)
InChIKeyKSMTZOOLUYSEHT-UHFFFAOYSA-N
XLogP-0.94
TPSA138.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]amino]acetic acid (CID 107438527) is 2-[(2-amino-2-oxoethyl)-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]amino]acetic acid is Cc1cc(CNC(=O)N(CC(N)=O)CC(=O)O)on1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]amino]acetic acid?
The InChIKey is KSMTZOOLUYSEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O5/c1-6-2-7(19-13-6)3-12-10(18)14(4-8(11)15)5-9(16)17/h2H,3-5H2,1H3,(H2,11,15)(H,12,18)(H,16,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]amino]acetic acid has a molecular weight of 270.24 g/mol, XLogP of -0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 107438527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).