3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid

C11H12N2O4 — CID 106108341

IUPAC3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid
SMILESCOC(CNc1nc2ccccc2o1)C(=O)O
InChIInChI=1S/C11H12N2O4/c1-16-9(10(14)15)6-12-11-13-7-4-2-3-5-8(7)17-11/h2-5,9H,6H2,1H3,(H,12,13)(H,14,15)
InChIKeyGZDKZENDGHTPJR-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.34
Rot. Bonds5

About 3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid

3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid (PubChem CID 106108341) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid
PubChem CID106108341
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid
SMILESCOC(CNc1nc2ccccc2o1)C(=O)O
InChIInChI=1S/C11H12N2O4/c1-16-9(10(14)15)6-12-11-13-7-4-2-3-5-8(7)17-11/h2-5,9H,6H2,1H3,(H,12,13)(H,14,15)
InChIKeyGZDKZENDGHTPJR-UHFFFAOYSA-N
XLogP1.34
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(1,3-benzoxazol-2-ylamino)-2-methylpropanoate
CID 67445136
methyl 3-(1,3-benzoxazol-2-ylamino)propanoate
CID 47277708
N-(2-chloropropyl)-1,3-benzoxazol-2-amine
CID 65027470
N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzoxazol-2-amine
CID 102913887
2-[2-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]acetic acid
CID 81313394
4-(1,3-benzoxazol-2-ylamino)-2,2-dimethylbutanoic acid
CID 114285537
N'-(1,3-benzoxazol-2-yl)-1-phenylethane-1,2-diamine
CID 63120269
N'-(1,3-benzoxazol-2-yl)-2-methylpropane-1,3-diamine
CID 65035675
3-(1,3-benzoxazol-2-ylamino)-N,N-dimethylpropanamide
CID 47281823
2-(1,3-benzoxazol-2-ylamino)-N,N-dimethylacetamide
CID 60707856
(2R)-2-(1,3-benzoxazol-2-ylamino)butanedioic acid
CID 167988946
2-(1,3-benzoxazol-2-ylamino)-N-tert-butylacetamide
CID 36581358

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid?
The IUPAC name of 3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid (CID 106108341) is 3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid.
What is the SMILES notation for 3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid?
The canonical SMILES for 3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid is COC(CNc1nc2ccccc2o1)C(=O)O.
What is the InChIKey of 3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid?
The InChIKey is GZDKZENDGHTPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-16-9(10(14)15)6-12-11-13-7-4-2-3-5-8(7)17-11/h2-5,9H,6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid?
3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid has a molecular weight of 236.23 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid is sourced from PubChem (CID 106108341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).