2-cyclopropyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid

C10H12N2O4 — CID 115730815

IUPAC2-cyclopropyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid
SMILESO=C(Cc1ccon1)NC(C(=O)O)C1CC1
InChIInChI=1S/C10H12N2O4/c13-8(5-7-3-4-16-12-7)11-9(10(14)15)6-1-2-6/h3-4,6,9H,1-2,5H2,(H,11,13)(H,14,15)
InChIKeyWUGDBSPEPWLVDS-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.20
Rot. Bonds5

About 2-cyclopropyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid

2-cyclopropyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid (PubChem CID 115730815) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid
PubChem CID115730815
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-cyclopropyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid
SMILESO=C(Cc1ccon1)NC(C(=O)O)C1CC1
InChIInChI=1S/C10H12N2O4/c13-8(5-7-3-4-16-12-7)11-9(10(14)15)6-1-2-6/h3-4,6,9H,1-2,5H2,(H,11,13)(H,14,15)
InChIKeyWUGDBSPEPWLVDS-UHFFFAOYSA-N
XLogP0.20
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-methyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid
CID 119360778
5-cyclohexyl-4-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid
CID 122056791
2-cyclopropyl-2-[[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid
CID 62697078
2-cyclopropyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid
CID 79139200
2-cyclopropyl-2-[[2-(2-iodophenyl)acetyl]amino]acetic acid
CID 120521179
N-carbamothioyl-2-(1,2-oxazol-3-yl)acetamide
CID 54041905
2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid
CID 62696020
2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]-2-(oxan-4-yl)acetic acid
CID 138034429
2-cyclopropyl-2-[[2-(4-nitrophenyl)acetyl]amino]acetic acid
CID 62696087
2-(1,2-oxazol-3-yl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]acetamide
CID 129002650
2-cyclopropyl-2-(furan-2-carbonylamino)acetic acid
CID 62697228
2-cyclopropyl-2-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]acetic acid
CID 119213176

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid (CID 115730815) is 2-cyclopropyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid is O=C(Cc1ccon1)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid?
The InChIKey is WUGDBSPEPWLVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-8(5-7-3-4-16-12-7)11-9(10(14)15)6-1-2-6/h3-4,6,9H,1-2,5H2,(H,11,13)(H,14,15).
What are the key properties of 2-cyclopropyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid?
2-cyclopropyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid has a molecular weight of 224.22 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 115730815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).