2-[2-(2-chlorophenoxy)propanoylamino]hexanoic acid

C15H20ClNO4 — CID 43469679

IUPAC2-[2-(2-chlorophenoxy)propanoylamino]hexanoic acid
SMILESCCCCC(NC(=O)C(C)Oc1ccccc1Cl)C(=O)O
InChIInChI=1S/C15H20ClNO4/c1-3-4-8-12(15(19)20)17-14(18)10(2)21-13-9-6-5-7-11(13)16/h5-7,9-10,12H,3-4,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyCPVWJOVFLVXJHT-UHFFFAOYSA-N
MW313.78 g/mol
LogP2.87
Rot. Bonds8

About 2-[2-(2-chlorophenoxy)propanoylamino]hexanoic acid

2-[2-(2-chlorophenoxy)propanoylamino]hexanoic acid (PubChem CID 43469679) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-[2-(2-chlorophenoxy)propanoylamino]hexanoic acid.

Molecular Properties

Compound Name2-[2-(2-chlorophenoxy)propanoylamino]hexanoic acid
PubChem CID43469679
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name2-[2-(2-chlorophenoxy)propanoylamino]hexanoic acid
SMILESCCCCC(NC(=O)C(C)Oc1ccccc1Cl)C(=O)O
InChIInChI=1S/C15H20ClNO4/c1-3-4-8-12(15(19)20)17-14(18)10(2)21-13-9-6-5-7-11(13)16/h5-7,9-10,12H,3-4,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyCPVWJOVFLVXJHT-UHFFFAOYSA-N
XLogP2.87
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 47393625
(2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid
CID 54990962
(2S,3S)-2-[2-(2-chlorophenoxy)propanoylamino]-3-methylpentanoic acid
CID 61137417
(2R)-2-[2-(2-fluorophenoxy)propanoylamino]pentanoic acid
CID 107563253
2-(2-phenylmethoxypropanoylamino)hexanoic acid
CID 43469799
(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 93234576
(2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 42563640
(2S)-2-[2-(2-cyanophenoxy)propanoylamino]pentanoic acid
CID 107563790
(2R)-2-(2-chlorophenoxy)-N-(ethylcarbamoyl)propanamide
CID 2631962
2-[2-(2-bromophenoxy)propanoylamino]butanoic acid
CID 119224224
N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)propanamide;hydrochloride
CID 119586798
2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-phenylpropanoic acid
CID 3454202

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenoxy)propanoylamino]hexanoic acid?
The IUPAC name of 2-[2-(2-chlorophenoxy)propanoylamino]hexanoic acid (CID 43469679) is 2-[2-(2-chlorophenoxy)propanoylamino]hexanoic acid.
What is the SMILES notation for 2-[2-(2-chlorophenoxy)propanoylamino]hexanoic acid?
The canonical SMILES for 2-[2-(2-chlorophenoxy)propanoylamino]hexanoic acid is CCCCC(NC(=O)C(C)Oc1ccccc1Cl)C(=O)O.
What is the InChIKey of 2-[2-(2-chlorophenoxy)propanoylamino]hexanoic acid?
The InChIKey is CPVWJOVFLVXJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-3-4-8-12(15(19)20)17-14(18)10(2)21-13-9-6-5-7-11(13)16/h5-7,9-10,12H,3-4,8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(2-chlorophenoxy)propanoylamino]hexanoic acid?
2-[2-(2-chlorophenoxy)propanoylamino]hexanoic acid has a molecular weight of 313.78 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenoxy)propanoylamino]hexanoic acid is sourced from PubChem (CID 43469679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).