2-amino-2-(7-chloro-2-methyl-1,3-benzoxazol-5-yl)acetic acid

C10H9ClN2O3 — CID 83898908

IUPAC2-amino-2-(7-chloro-2-methyl-1,3-benzoxazol-5-yl)acetic acid
SMILESCc1nc2cc(C(N)C(=O)O)cc(Cl)c2o1
InChIInChI=1S/C10H9ClN2O3/c1-4-13-7-3-5(8(12)10(14)15)2-6(11)9(7)16-4/h2-3,8H,12H2,1H3,(H,14,15)
InChIKeyATDXYTLFYRSYDT-UHFFFAOYSA-N
MW240.65 g/mol
LogP1.87
Rot. Bonds2

About 2-amino-2-(7-chloro-2-methyl-1,3-benzoxazol-5-yl)acetic acid

2-amino-2-(7-chloro-2-methyl-1,3-benzoxazol-5-yl)acetic acid (PubChem CID 83898908) has the molecular formula C10H9ClN2O3 and a molecular weight of 240.65 g/mol. Its IUPAC name is 2-amino-2-(7-chloro-2-methyl-1,3-benzoxazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(7-chloro-2-methyl-1,3-benzoxazol-5-yl)acetic acid
PubChem CID83898908
Molecular FormulaC10H9ClN2O3
Molecular Weight240.65 g/mol
Exact Mass240.03
IUPAC Name2-amino-2-(7-chloro-2-methyl-1,3-benzoxazol-5-yl)acetic acid
SMILESCc1nc2cc(C(N)C(=O)O)cc(Cl)c2o1
InChIInChI=1S/C10H9ClN2O3/c1-4-13-7-3-5(8(12)10(14)15)2-6(11)9(7)16-4/h2-3,8H,12H2,1H3,(H,14,15)
InChIKeyATDXYTLFYRSYDT-UHFFFAOYSA-N
XLogP1.87
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-2-(3-chloro-4-methylphenyl)acetic acid
CID 130742447
2-amino-3-(methylamino)-3-(2-methyl-1,3-benzoxazol-5-yl)propanoic acid
CID 116957401
5-chloro-2-methyl-6,7-di(propan-2-yl)-1,3-benzoxazole
CID 176945226
2-amino-2-(5-chloro-2-methyl-1,3-benzoxazol-7-yl)ethanol
CID 83892709
3,4-diamino-4-(2-methyl-1,3-benzoxazol-5-yl)butanoic acid
CID 116942843
2-amino-2-(7-chloro-1-methylindol-5-yl)acetic acid
CID 83898209
2,5-dimethyl-1,3-benzoxazole-7-carboxylic acid
CID 69088021
2-amino-2-(5-chloro-2,4-dimethoxy-3-methylphenyl)acetic acid
CID 117403289
5,7-dichloro-2-methyl-1,3-benzoxazole;ethyl hydrogen sulfate
CID 88803345
2-amino-2-(4-amino-3,5-dimethylphenyl)acetic acid
CID 55297559
3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylbutanoic acid
CID 107675982
2-[(5,7-dichloro-1,3-benzoxazol-2-yl)-methylamino]propanoic acid
CID 122048793

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(7-chloro-2-methyl-1,3-benzoxazol-5-yl)acetic acid?
The IUPAC name of 2-amino-2-(7-chloro-2-methyl-1,3-benzoxazol-5-yl)acetic acid (CID 83898908) is 2-amino-2-(7-chloro-2-methyl-1,3-benzoxazol-5-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(7-chloro-2-methyl-1,3-benzoxazol-5-yl)acetic acid?
The canonical SMILES for 2-amino-2-(7-chloro-2-methyl-1,3-benzoxazol-5-yl)acetic acid is Cc1nc2cc(C(N)C(=O)O)cc(Cl)c2o1.
What is the InChIKey of 2-amino-2-(7-chloro-2-methyl-1,3-benzoxazol-5-yl)acetic acid?
The InChIKey is ATDXYTLFYRSYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3/c1-4-13-7-3-5(8(12)10(14)15)2-6(11)9(7)16-4/h2-3,8H,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-2-(7-chloro-2-methyl-1,3-benzoxazol-5-yl)acetic acid?
2-amino-2-(7-chloro-2-methyl-1,3-benzoxazol-5-yl)acetic acid has a molecular weight of 240.65 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(7-chloro-2-methyl-1,3-benzoxazol-5-yl)acetic acid is sourced from PubChem (CID 83898908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).