3-amino-2-(1,2-benzoxazol-3-yl)propanoic acid

C10H10N2O3 — CID 82396094

IUPAC3-amino-2-(1,2-benzoxazol-3-yl)propanoic acid
SMILESNCC(C(=O)O)c1noc2ccccc12
InChIInChI=1S/C10H10N2O3/c11-5-7(10(13)14)9-6-3-1-2-4-8(6)15-12-9/h1-4,7H,5,11H2,(H,13,14)
InChIKeyZMOFVYMVLDAKPA-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.95
Rot. Bonds3

About 3-amino-2-(1,2-benzoxazol-3-yl)propanoic acid

3-amino-2-(1,2-benzoxazol-3-yl)propanoic acid (PubChem CID 82396094) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-amino-2-(1,2-benzoxazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(1,2-benzoxazol-3-yl)propanoic acid
PubChem CID82396094
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name3-amino-2-(1,2-benzoxazol-3-yl)propanoic acid
SMILESNCC(C(=O)O)c1noc2ccccc12
InChIInChI=1S/C10H10N2O3/c11-5-7(10(13)14)9-6-3-1-2-4-8(6)15-12-9/h1-4,7H,5,11H2,(H,13,14)
InChIKeyZMOFVYMVLDAKPA-UHFFFAOYSA-N
XLogP0.95
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-benzoxazol-3-yl)-2-bromoacetic acid;3-(bromomethyl)-1,2-benzoxazole
CID 160787627
benzyl 2-(1,2-benzoxazol-3-yl)propanoate
CID 134527830
1-(1,2-benzoxazol-3-yl)propane-1-sulfonic acid
CID 167261210
ethyl 2-(1,2-benzoxazol-3-yl)-2-cyanoacetate
CID 14112855
1-(1,2-benzoxazol-3-yl)ethanesulfinamide
CID 166937430
3-(1,2-benzoxazol-3-yl)-1-phenylbutan-1-amine
CID 140994751
2-(1,2-benzoxazol-3-ylsulfanyl)acetamide
CID 54541445
1-(1,2-benzoxazol-3-yl)-2-methylpropane-1-sulfonamide
CID 162436350
2-(1,2-benzoxazol-3-ylamino)propanoic acid
CID 69119449
(2E)-2-(1,2-benzoxazol-3-yl)-2-hydroxyiminoacetic acid
CID 135604901
N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide
CID 119585056
3-amino-2-[2-(1,3-benzoxazol-2-yl)phenyl]propanoic acid
CID 117453529

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1,2-benzoxazol-3-yl)propanoic acid?
The IUPAC name of 3-amino-2-(1,2-benzoxazol-3-yl)propanoic acid (CID 82396094) is 3-amino-2-(1,2-benzoxazol-3-yl)propanoic acid.
What is the SMILES notation for 3-amino-2-(1,2-benzoxazol-3-yl)propanoic acid?
The canonical SMILES for 3-amino-2-(1,2-benzoxazol-3-yl)propanoic acid is NCC(C(=O)O)c1noc2ccccc12.
What is the InChIKey of 3-amino-2-(1,2-benzoxazol-3-yl)propanoic acid?
The InChIKey is ZMOFVYMVLDAKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c11-5-7(10(13)14)9-6-3-1-2-4-8(6)15-12-9/h1-4,7H,5,11H2,(H,13,14).
What are the key properties of 3-amino-2-(1,2-benzoxazol-3-yl)propanoic acid?
3-amino-2-(1,2-benzoxazol-3-yl)propanoic acid has a molecular weight of 206.20 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1,2-benzoxazol-3-yl)propanoic acid is sourced from PubChem (CID 82396094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).