2-amino-3-[4-chloro-3-(6-methoxynaphthalen-2-yl)oxyphenyl]propanoic acid

C20H18ClNO4 — CID 10215748

IUPAC2-amino-3-[4-chloro-3-(6-methoxynaphthalen-2-yl)oxyphenyl]propanoic acid
SMILESCOc1ccc2cc(Oc3cc(CC(N)C(=O)O)ccc3Cl)ccc2c1
InChIInChI=1S/C20H18ClNO4/c1-25-15-5-3-14-11-16(6-4-13(14)10-15)26-19-9-12(2-7-17(19)21)8-18(22)20(23)24/h2-7,9-11,18H,8,22H2,1H3,(H,23,24)
InChIKeyZGGWJDZLKXOTHV-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.25
Rot. Bonds6

About 2-amino-3-[4-chloro-3-(6-methoxynaphthalen-2-yl)oxyphenyl]propanoic acid

2-amino-3-[4-chloro-3-(6-methoxynaphthalen-2-yl)oxyphenyl]propanoic acid (PubChem CID 10215748) has the molecular formula C20H18ClNO4 and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-amino-3-[4-chloro-3-(6-methoxynaphthalen-2-yl)oxyphenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-chloro-3-(6-methoxynaphthalen-2-yl)oxyphenyl]propanoic acid
PubChem CID10215748
Molecular FormulaC20H18ClNO4
Molecular Weight371.82 g/mol
Exact Mass371.09
IUPAC Name2-amino-3-[4-chloro-3-(6-methoxynaphthalen-2-yl)oxyphenyl]propanoic acid
SMILESCOc1ccc2cc(Oc3cc(CC(N)C(=O)O)ccc3Cl)ccc2c1
InChIInChI=1S/C20H18ClNO4/c1-25-15-5-3-14-11-16(6-4-13(14)10-15)26-19-9-12(2-7-17(19)21)8-18(22)20(23)24/h2-7,9-11,18H,8,22H2,1H3,(H,23,24)
InChIKeyZGGWJDZLKXOTHV-UHFFFAOYSA-N
XLogP4.25
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(4-chloro-3-methoxyphenyl)propanoic acid
CID 57319937
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate
CID 171238349
2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 23285642
(2R)-2-amino-3-[3-(3,4-dichlorophenoxy)phenyl]propanoic acid
CID 70117929
(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane
CID 143607280
2-(2-chloro-5-methoxyphenoxy)-3-oxobutanoic acid
CID 67573915
(2R)-2-amino-3-(3-borono-4-chlorophenyl)propanoic acid
CID 167431310
2-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 54846805
2-amino-3-(4-chloro-3-fluorophenyl)propanoic acid
CID 11053116
(2S)-2-amino-3-(4-chloro-3-fluorophenyl)propanoic acid
CID 62717943
(2S)-2-amino-3-[4-(4-methoxy-2-methylphenyl)phenyl]propanoic acid
CID 67243066

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-chloro-3-(6-methoxynaphthalen-2-yl)oxyphenyl]propanoic acid?
The IUPAC name of 2-amino-3-[4-chloro-3-(6-methoxynaphthalen-2-yl)oxyphenyl]propanoic acid (CID 10215748) is 2-amino-3-[4-chloro-3-(6-methoxynaphthalen-2-yl)oxyphenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-chloro-3-(6-methoxynaphthalen-2-yl)oxyphenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-chloro-3-(6-methoxynaphthalen-2-yl)oxyphenyl]propanoic acid is COc1ccc2cc(Oc3cc(CC(N)C(=O)O)ccc3Cl)ccc2c1.
What is the InChIKey of 2-amino-3-[4-chloro-3-(6-methoxynaphthalen-2-yl)oxyphenyl]propanoic acid?
The InChIKey is ZGGWJDZLKXOTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4/c1-25-15-5-3-14-11-16(6-4-13(14)10-15)26-19-9-12(2-7-17(19)21)8-18(22)20(23)24/h2-7,9-11,18H,8,22H2,1H3,(H,23,24).
What are the key properties of 2-amino-3-[4-chloro-3-(6-methoxynaphthalen-2-yl)oxyphenyl]propanoic acid?
2-amino-3-[4-chloro-3-(6-methoxynaphthalen-2-yl)oxyphenyl]propanoic acid has a molecular weight of 371.82 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-chloro-3-(6-methoxynaphthalen-2-yl)oxyphenyl]propanoic acid is sourced from PubChem (CID 10215748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).