methyl 2-[(2-chloro-5-hydroxybenzoyl)-propylamino]acetate

C13H16ClNO4 — CID 106501642

IUPACmethyl 2-[(2-chloro-5-hydroxybenzoyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C13H16ClNO4/c1-3-6-15(8-12(17)19-2)13(18)10-7-9(16)4-5-11(10)14/h4-5,7,16H,3,6,8H2,1-2H3
InChIKeyZQMGVPKPYCTGPX-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.07
Rot. Bonds5

About methyl 2-[(2-chloro-5-hydroxybenzoyl)-propylamino]acetate

methyl 2-[(2-chloro-5-hydroxybenzoyl)-propylamino]acetate (PubChem CID 106501642) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is methyl 2-[(2-chloro-5-hydroxybenzoyl)-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-5-hydroxybenzoyl)-propylamino]acetate
PubChem CID106501642
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Namemethyl 2-[(2-chloro-5-hydroxybenzoyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C13H16ClNO4/c1-3-6-15(8-12(17)19-2)13(18)10-7-9(16)4-5-11(10)14/h4-5,7,16H,3,6,8H2,1-2H3
InChIKeyZQMGVPKPYCTGPX-UHFFFAOYSA-N
XLogP2.07
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(5-hydroxy-2-nitrobenzoyl)-propylamino]acetate
CID 102741632
methyl 2-[(2-chloro-4-methylbenzoyl)-propylamino]acetate
CID 106491024
ethyl 2-[(2-chloro-5-hydroxybenzoyl)-(2-methoxyethyl)amino]acetate
CID 106501591
N,N-dibutyl-2-chloro-5-hydroxybenzamide
CID 106501357
2-chloro-N-(cyanomethyl)-5-hydroxy-N-propylbenzamide
CID 106500989
methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propylamino]acetate
CID 103644943
methyl 2-[(2-amino-5-chlorobenzoyl)-propylamino]acetate
CID 61109430
methyl 3-[(2-chloro-5-hydroxybenzoyl)amino]propanoate
CID 106501475
2-chloro-N-(3-chloropropyl)-N-ethyl-5-hydroxybenzamide
CID 106503200
methyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate
CID 54979189
5-amino-2-chloro-N,N-dipropylbenzamide
CID 16777206
2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide
CID 106501594

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloro-5-hydroxybenzoyl)-propylamino]acetate?
The IUPAC name of methyl 2-[(2-chloro-5-hydroxybenzoyl)-propylamino]acetate (CID 106501642) is methyl 2-[(2-chloro-5-hydroxybenzoyl)-propylamino]acetate.
What is the SMILES notation for methyl 2-[(2-chloro-5-hydroxybenzoyl)-propylamino]acetate?
The canonical SMILES for methyl 2-[(2-chloro-5-hydroxybenzoyl)-propylamino]acetate is CCCN(CC(=O)OC)C(=O)c1cc(O)ccc1Cl.
What is the InChIKey of methyl 2-[(2-chloro-5-hydroxybenzoyl)-propylamino]acetate?
The InChIKey is ZQMGVPKPYCTGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4/c1-3-6-15(8-12(17)19-2)13(18)10-7-9(16)4-5-11(10)14/h4-5,7,16H,3,6,8H2,1-2H3.
What are the key properties of methyl 2-[(2-chloro-5-hydroxybenzoyl)-propylamino]acetate?
methyl 2-[(2-chloro-5-hydroxybenzoyl)-propylamino]acetate has a molecular weight of 285.73 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloro-5-hydroxybenzoyl)-propylamino]acetate is sourced from PubChem (CID 106501642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).