2-amino-3-(6-chloro-2-hydroxynaphthalen-1-yl)propanoic acid

C13H12ClNO3 — CID 117418371

IUPAC2-amino-3-(6-chloro-2-hydroxynaphthalen-1-yl)propanoic acid
SMILESNC(Cc1c(O)ccc2cc(Cl)ccc12)C(=O)O
InChIInChI=1S/C13H12ClNO3/c14-8-2-3-9-7(5-8)1-4-12(16)10(9)6-11(15)13(17)18/h1-5,11,16H,6,15H2,(H,17,18)
InChIKeyNCEPBLSCWYTWHN-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.15
Rot. Bonds3

About 2-amino-3-(6-chloro-2-hydroxynaphthalen-1-yl)propanoic acid

2-amino-3-(6-chloro-2-hydroxynaphthalen-1-yl)propanoic acid (PubChem CID 117418371) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-amino-3-(6-chloro-2-hydroxynaphthalen-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(6-chloro-2-hydroxynaphthalen-1-yl)propanoic acid
PubChem CID117418371
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Name2-amino-3-(6-chloro-2-hydroxynaphthalen-1-yl)propanoic acid
SMILESNC(Cc1c(O)ccc2cc(Cl)ccc12)C(=O)O
InChIInChI=1S/C13H12ClNO3/c14-8-2-3-9-7(5-8)1-4-12(16)10(9)6-11(15)13(17)18/h1-5,11,16H,6,15H2,(H,17,18)
InChIKeyNCEPBLSCWYTWHN-UHFFFAOYSA-N
XLogP2.15
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid
CID 82613831
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CID 131883206
2-amino-3-(5-hydroxy-1H-indol-4-yl)propanoic acid
CID 121221701
2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid;ethane
CID 145142461
(2S)-2-amino-3-(5-chloro-2-methyl-1H-indol-3-yl)propanoic acid
CID 91184565
(2S)-2-amino-3-(2,5-dichlorophenyl)propanoic acid;hydrochloride
CID 71741657
2-amino-3-(5-chloro-1,2-dimethylindol-3-yl)propanoic acid
CID 122499642
2-amino-3-(2-bromo-5-chloro-1-methylindol-3-yl)propanoic acid
CID 84646340
2-[(2-chloroanthracen-9-yl)methyl]propanedioic acid
CID 154147251
(2S)-2-amino-3-(2,4,6-trihydroxyphenyl)propanoic acid;hydrochloride
CID 91928391
(2R)-2-amino-3-(2-bromo-6-hydroxyphenyl)propanoic acid
CID 96589023
(2S)-2-amino-2-(4-chloro-2-hydroxyphenyl)acetic acid
CID 66510595

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(6-chloro-2-hydroxynaphthalen-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(6-chloro-2-hydroxynaphthalen-1-yl)propanoic acid (CID 117418371) is 2-amino-3-(6-chloro-2-hydroxynaphthalen-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(6-chloro-2-hydroxynaphthalen-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(6-chloro-2-hydroxynaphthalen-1-yl)propanoic acid is NC(Cc1c(O)ccc2cc(Cl)ccc12)C(=O)O.
What is the InChIKey of 2-amino-3-(6-chloro-2-hydroxynaphthalen-1-yl)propanoic acid?
The InChIKey is NCEPBLSCWYTWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c14-8-2-3-9-7(5-8)1-4-12(16)10(9)6-11(15)13(17)18/h1-5,11,16H,6,15H2,(H,17,18).
What are the key properties of 2-amino-3-(6-chloro-2-hydroxynaphthalen-1-yl)propanoic acid?
2-amino-3-(6-chloro-2-hydroxynaphthalen-1-yl)propanoic acid has a molecular weight of 265.70 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(6-chloro-2-hydroxynaphthalen-1-yl)propanoic acid is sourced from PubChem (CID 117418371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).