propyl 2-amino-2-(2-chlorophenyl)acetate;hydrochloride

C11H15Cl2NO2 — CID 141274241

IUPACpropyl 2-amino-2-(2-chlorophenyl)acetate;hydrochloride
SMILESCCCOC(=O)C(N)c1ccccc1Cl.Cl
InChIInChI=1S/C11H14ClNO2.ClH/c1-2-7-15-11(14)10(13)8-5-3-4-6-9(8)12;/h3-6,10H,2,7,13H2,1H3;1H
InChIKeyLZZCWNFKBXBUIG-UHFFFAOYSA-N
MW264.15 g/mol
LogP2.71
Rot. Bonds4

About propyl 2-amino-2-(2-chlorophenyl)acetate;hydrochloride

propyl 2-amino-2-(2-chlorophenyl)acetate;hydrochloride (PubChem CID 141274241) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is propyl 2-amino-2-(2-chlorophenyl)acetate;hydrochloride.

Molecular Properties

Compound Namepropyl 2-amino-2-(2-chlorophenyl)acetate;hydrochloride
PubChem CID141274241
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Namepropyl 2-amino-2-(2-chlorophenyl)acetate;hydrochloride
SMILESCCCOC(=O)C(N)c1ccccc1Cl.Cl
InChIInChI=1S/C11H14ClNO2.ClH/c1-2-7-15-11(14)10(13)8-5-3-4-6-9(8)12;/h3-6,10H,2,7,13H2,1H3;1H
InChIKeyLZZCWNFKBXBUIG-UHFFFAOYSA-N
XLogP2.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropylmethyl (2R)-2-amino-2-(2-chlorophenyl)acetate
CID 107315707
2-amino-2-(2-chlorophenyl)acetohydrazide;hydrochloride
CID 170913938
2-amino-2-(2-chlorophenyl)-N,N-dimethylacetamide
CID 83533893
triethyl 2-(2-chlorophenyl)ethane-1,1,2-tricarboxylate
CID 102417450
dimethyl 2-(2-chlorophenyl)propanedioate
CID 18710443
ethyl 2-(2-chlorophenyl)-2-methylsulfanylacetate
CID 12630927
[2-amino-2-(2-chlorophenyl)ethyl] carbamate;hydrochloride
CID 68646285
methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;hydrochloride
CID 141289381
ethyl 2-(2-chlorophenyl)hexanoate
CID 142202893
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
4-amino-4-(2-chlorophenyl)butan-2-one
CID 134204644
(3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride
CID 71755470

Frequently Asked Questions

What is the IUPAC name of propyl 2-amino-2-(2-chlorophenyl)acetate;hydrochloride?
The IUPAC name of propyl 2-amino-2-(2-chlorophenyl)acetate;hydrochloride (CID 141274241) is propyl 2-amino-2-(2-chlorophenyl)acetate;hydrochloride.
What is the SMILES notation for propyl 2-amino-2-(2-chlorophenyl)acetate;hydrochloride?
The canonical SMILES for propyl 2-amino-2-(2-chlorophenyl)acetate;hydrochloride is CCCOC(=O)C(N)c1ccccc1Cl.Cl.
What is the InChIKey of propyl 2-amino-2-(2-chlorophenyl)acetate;hydrochloride?
The InChIKey is LZZCWNFKBXBUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2.ClH/c1-2-7-15-11(14)10(13)8-5-3-4-6-9(8)12;/h3-6,10H,2,7,13H2,1H3;1H.
What are the key properties of propyl 2-amino-2-(2-chlorophenyl)acetate;hydrochloride?
propyl 2-amino-2-(2-chlorophenyl)acetate;hydrochloride has a molecular weight of 264.15 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-amino-2-(2-chlorophenyl)acetate;hydrochloride is sourced from PubChem (CID 141274241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).