(4-chlorophenyl)methyl 2-(2-methylpropylamino)acetate

C13H18ClNO2 — CID 65127392

IUPAC(4-chlorophenyl)methyl 2-(2-methylpropylamino)acetate
SMILESCC(C)CNCC(=O)OCc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2/c1-10(2)7-15-8-13(16)17-9-11-3-5-12(14)6-4-11/h3-6,10,15H,7-9H2,1-2H3
InChIKeyGGZZRLWXEWHAGK-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.63
Rot. Bonds6

About (4-chlorophenyl)methyl 2-(2-methylpropylamino)acetate

(4-chlorophenyl)methyl 2-(2-methylpropylamino)acetate (PubChem CID 65127392) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 2-(2-methylpropylamino)acetate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 2-(2-methylpropylamino)acetate
PubChem CID65127392
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name(4-chlorophenyl)methyl 2-(2-methylpropylamino)acetate
SMILESCC(C)CNCC(=O)OCc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2/c1-10(2)7-15-8-13(16)17-9-11-3-5-12(14)6-4-11/h3-6,10,15H,7-9H2,1-2H3
InChIKeyGGZZRLWXEWHAGK-UHFFFAOYSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate
CID 107437060
(4-chlorophenyl)methyl 3-methylpentanoate
CID 102077326
(4-chlorophenyl)methyl (2S)-2-aminopropanoate
CID 54528186
(4-chlorophenyl)methyl 2-anilinoacetate
CID 65127190
bis[(4-chlorophenyl)methyl] 3-(3-methylbutyl)-3-propan-2-ylpentanedioate
CID 141045502
[4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate
CID 23737520
2-[[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetic acid
CID 146503139
(4-chlorophenyl)methyl (2S)-2-amino-3-methylpentanoate
CID 65127089
(4-chlorophenyl)methyl 2-(cyclohexanecarbonylamino)acetate
CID 8662028
ethyl 2-[[4-(4-chlorophenyl)phenyl]methylamino]acetate
CID 23033394
ethyl 4-[[2-[(4-chlorophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate
CID 7725585
(4-chlorophenyl)methyl 2-(4-aminophenyl)acetate
CID 61323404

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 2-(2-methylpropylamino)acetate?
The IUPAC name of (4-chlorophenyl)methyl 2-(2-methylpropylamino)acetate (CID 65127392) is (4-chlorophenyl)methyl 2-(2-methylpropylamino)acetate.
What is the SMILES notation for (4-chlorophenyl)methyl 2-(2-methylpropylamino)acetate?
The canonical SMILES for (4-chlorophenyl)methyl 2-(2-methylpropylamino)acetate is CC(C)CNCC(=O)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl 2-(2-methylpropylamino)acetate?
The InChIKey is GGZZRLWXEWHAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-10(2)7-15-8-13(16)17-9-11-3-5-12(14)6-4-11/h3-6,10,15H,7-9H2,1-2H3.
What are the key properties of (4-chlorophenyl)methyl 2-(2-methylpropylamino)acetate?
(4-chlorophenyl)methyl 2-(2-methylpropylamino)acetate has a molecular weight of 255.74 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 2-(2-methylpropylamino)acetate is sourced from PubChem (CID 65127392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).