3-[2-(2,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid

C12H13Cl2NO5 — CID 66165822

IUPAC3-[2-(2,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C12H13Cl2NO5/c1-6(11(17)15-5-9(16)12(18)19)20-10-3-2-7(13)4-8(10)14/h2-4,6,9,16H,5H2,1H3,(H,15,17)(H,18,19)
InChIKeyHDIMZFJANRRTCJ-UHFFFAOYSA-N
MW322.14 g/mol
LogP1.32
Rot. Bonds6

About 3-[2-(2,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid

3-[2-(2,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid (PubChem CID 66165822) has the molecular formula C12H13Cl2NO5 and a molecular weight of 322.14 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid
PubChem CID66165822
Molecular FormulaC12H13Cl2NO5
Molecular Weight322.14 g/mol
Exact Mass321.02
IUPAC Name3-[2-(2,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C12H13Cl2NO5/c1-6(11(17)15-5-9(16)12(18)19)20-10-3-2-7(13)4-8(10)14/h2-4,6,9,16H,5H2,1H3,(H,15,17)(H,18,19)
InChIKeyHDIMZFJANRRTCJ-UHFFFAOYSA-N
XLogP1.32
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.14
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-methylbutyl]propanamide
CID 2291416
4-[2-(2,4-dichlorophenoxy)propanoylamino]butanoic acid
CID 43239301
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide
CID 27230023
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
(2S)-2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61138004
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylpentanoic acid
CID 3825551
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170
N-[2-(benzenesulfonyl)ethyl]-2-(2,4-dichlorophenoxy)propanamide
CID 55734024
(2R)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide
CID 124538013

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[2-(2,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid (CID 66165822) is 3-[2-(2,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[2-(2,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[2-(2,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid is CC(Oc1ccc(Cl)cc1Cl)C(=O)NCC(O)C(=O)O.
What is the InChIKey of 3-[2-(2,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid?
The InChIKey is HDIMZFJANRRTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO5/c1-6(11(17)15-5-9(16)12(18)19)20-10-3-2-7(13)4-8(10)14/h2-4,6,9,16H,5H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 3-[2-(2,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid?
3-[2-(2,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid has a molecular weight of 322.14 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66165822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).