methyl 2-amino-2-(2-amino-5-chlorophenyl)acetate

C9H11ClN2O2 — CID 130061350

IUPACmethyl 2-amino-2-(2-amino-5-chlorophenyl)acetate
SMILESCOC(=O)C(N)c1cc(Cl)ccc1N
InChIInChI=1S/C9H11ClN2O2/c1-14-9(13)8(12)6-4-5(10)2-3-7(6)11/h2-4,8H,11-12H2,1H3
InChIKeyVZWKQLBFJMVTHH-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.10
Rot. Bonds2

About methyl 2-amino-2-(2-amino-5-chlorophenyl)acetate

methyl 2-amino-2-(2-amino-5-chlorophenyl)acetate (PubChem CID 130061350) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is methyl 2-amino-2-(2-amino-5-chlorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(2-amino-5-chlorophenyl)acetate
PubChem CID130061350
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Namemethyl 2-amino-2-(2-amino-5-chlorophenyl)acetate
SMILESCOC(=O)C(N)c1cc(Cl)ccc1N
InChIInChI=1S/C9H11ClN2O2/c1-14-9(13)8(12)6-4-5(10)2-3-7(6)11/h2-4,8H,11-12H2,1H3
InChIKeyVZWKQLBFJMVTHH-UHFFFAOYSA-N
XLogP1.10
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride
CID 162344729
methyl (2R)-2-amino-2-(5-chloro-2-hydroxyphenyl)acetate;hydrochloride
CID 171217153
methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate
CID 171215055
methyl 2-amino-2-(2-bromo-5-chlorophenyl)acetate
CID 66156456
methyl (2S)-2-amino-2-(2-bromo-4-chlorophenyl)acetate
CID 130055209
methyl (2R)-2-amino-2-(5-chloro-2-nitrophenyl)acetate
CID 171225993
methyl 2-(1-acetyl-6-chloroindol-3-yl)-2-aminoacetate
CID 101083900
methyl 4-(2-amino-5-chlorophenyl)-3,4-dihydroxybutanoate
CID 171895291
2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chloroaniline
CID 130615780
methyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate
CID 51888842
2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride
CID 171214203
(1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol
CID 130778347

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(2-amino-5-chlorophenyl)acetate?
The IUPAC name of methyl 2-amino-2-(2-amino-5-chlorophenyl)acetate (CID 130061350) is methyl 2-amino-2-(2-amino-5-chlorophenyl)acetate.
What is the SMILES notation for methyl 2-amino-2-(2-amino-5-chlorophenyl)acetate?
The canonical SMILES for methyl 2-amino-2-(2-amino-5-chlorophenyl)acetate is COC(=O)C(N)c1cc(Cl)ccc1N.
What is the InChIKey of methyl 2-amino-2-(2-amino-5-chlorophenyl)acetate?
The InChIKey is VZWKQLBFJMVTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-14-9(13)8(12)6-4-5(10)2-3-7(6)11/h2-4,8H,11-12H2,1H3.
What are the key properties of methyl 2-amino-2-(2-amino-5-chlorophenyl)acetate?
methyl 2-amino-2-(2-amino-5-chlorophenyl)acetate has a molecular weight of 214.65 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(2-amino-5-chlorophenyl)acetate is sourced from PubChem (CID 130061350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).