(2-chlorophenyl)methyl 4-amino-4-methylpentanoate

C13H18ClNO2 — CID 62050226

IUPAC(2-chlorophenyl)methyl 4-amino-4-methylpentanoate
SMILESCC(C)(N)CCC(=O)OCc1ccccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-13(2,15)8-7-12(16)17-9-10-5-3-4-6-11(10)14/h3-6H,7-9,15H2,1-2H3
InChIKeyZLQPTKNMQOVSOZ-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.90
Rot. Bonds5

About (2-chlorophenyl)methyl 4-amino-4-methylpentanoate

(2-chlorophenyl)methyl 4-amino-4-methylpentanoate (PubChem CID 62050226) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 4-amino-4-methylpentanoate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 4-amino-4-methylpentanoate
PubChem CID62050226
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name(2-chlorophenyl)methyl 4-amino-4-methylpentanoate
SMILESCC(C)(N)CCC(=O)OCc1ccccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-13(2,15)8-7-12(16)17-9-10-5-3-4-6-11(10)14/h3-6H,7-9,15H2,1-2H3
InChIKeyZLQPTKNMQOVSOZ-UHFFFAOYSA-N
XLogP2.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)methyl 3-(2-methylanilino)propanoate
CID 60717447
(2-chlorophenyl)methyl 2-aminoacetate
CID 54593146
5-amino-1-(2,3-dichlorophenyl)-5-methylhexan-2-one
CID 107311350
(2-chlorophenyl)methyl 2-(prop-2-ynylamino)acetate
CID 79274047
[2,3,4-tris[[2-(2-chlorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-chlorophenyl)acetate
CID 141296631
3-amino-1-(2-chlorophenyl)-3-methylhexan-2-one
CID 116557106
(2-chlorophenyl)methyl 2-(methylamino)benzoate
CID 895057
(2-chlorophenyl)methyl 3-(furan-2-carbonylamino)propanoate
CID 46796022
bis[(2-ethylphenyl)methyl] hexanedioate
CID 69430210
[2-(pentanoyloxymethyl)phenyl]methyl pentanoate
CID 122421006
(2-ethylphenyl)methyl 3-[3-[(2-ethylphenyl)methoxy]-3-oxopropyl]sulfanylpropanoate
CID 154411294
(2-chlorophenyl)methyl (2S)-3-amino-2-hydroxypropanoate
CID 107837533

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 4-amino-4-methylpentanoate?
The IUPAC name of (2-chlorophenyl)methyl 4-amino-4-methylpentanoate (CID 62050226) is (2-chlorophenyl)methyl 4-amino-4-methylpentanoate.
What is the SMILES notation for (2-chlorophenyl)methyl 4-amino-4-methylpentanoate?
The canonical SMILES for (2-chlorophenyl)methyl 4-amino-4-methylpentanoate is CC(C)(N)CCC(=O)OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl 4-amino-4-methylpentanoate?
The InChIKey is ZLQPTKNMQOVSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-13(2,15)8-7-12(16)17-9-10-5-3-4-6-11(10)14/h3-6H,7-9,15H2,1-2H3.
What are the key properties of (2-chlorophenyl)methyl 4-amino-4-methylpentanoate?
(2-chlorophenyl)methyl 4-amino-4-methylpentanoate has a molecular weight of 255.75 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 4-amino-4-methylpentanoate is sourced from PubChem (CID 62050226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).