(2-chlorophenyl)methyl 2-aminoacetate

C9H10ClNO2 — CID 54593146

IUPAC(2-chlorophenyl)methyl 2-aminoacetate
SMILESNCC(=O)OCc1ccccc1Cl
InChIInChI=1S/C9H10ClNO2/c10-8-4-2-1-3-7(8)6-13-9(12)5-11/h1-4H,5-6,11H2
InChIKeyHMWUTBZVBOYLHE-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.34
Rot. Bonds3

About (2-chlorophenyl)methyl 2-aminoacetate

(2-chlorophenyl)methyl 2-aminoacetate (PubChem CID 54593146) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 2-aminoacetate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 2-aminoacetate
PubChem CID54593146
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name(2-chlorophenyl)methyl 2-aminoacetate
SMILESNCC(=O)OCc1ccccc1Cl
InChIInChI=1S/C9H10ClNO2/c10-8-4-2-1-3-7(8)6-13-9(12)5-11/h1-4H,5-6,11H2
InChIKeyHMWUTBZVBOYLHE-UHFFFAOYSA-N
XLogP1.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2,3,4-tris[[2-(2-chlorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-chlorophenyl)acetate
CID 141296631
(2-chlorophenyl)methyl (2S)-3-amino-2-hydroxypropanoate
CID 107837533
(2-chlorophenyl)methyl 4-amino-4-methylpentanoate
CID 62050226
(2-chlorophenyl)methyl (E)-4-aminobut-2-enoate
CID 150950859
(2-chlorophenyl)methyl 2-(prop-2-ynylamino)acetate
CID 79274047
(2-chlorophenyl)methyl 2-(prop-2-enylamino)acetate
CID 79276973
(2-chlorophenyl)methyl (2S)-2-amino-3-sulfanylpropanoate
CID 107774129
benzyl 2-aminoacetate
CID 122130027
(2-chlorophenyl)methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
CID 52600368
(2-chlorophenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79525379
(2-chlorophenyl)methyl (2S)-2-amino-4-hydroxybutanoate
CID 107825335
(2-chlorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115279797

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 2-aminoacetate?
The IUPAC name of (2-chlorophenyl)methyl 2-aminoacetate (CID 54593146) is (2-chlorophenyl)methyl 2-aminoacetate.
What is the SMILES notation for (2-chlorophenyl)methyl 2-aminoacetate?
The canonical SMILES for (2-chlorophenyl)methyl 2-aminoacetate is NCC(=O)OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl 2-aminoacetate?
The InChIKey is HMWUTBZVBOYLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c10-8-4-2-1-3-7(8)6-13-9(12)5-11/h1-4H,5-6,11H2.
What are the key properties of (2-chlorophenyl)methyl 2-aminoacetate?
(2-chlorophenyl)methyl 2-aminoacetate has a molecular weight of 199.64 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 2-aminoacetate is sourced from PubChem (CID 54593146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).