2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane

C9H13NO3Pb — CID 175006953

IUPAC2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
SMILESNC(Cc1ccc(O)cc1)C(=O)O.[PbH2]
InChIInChI=1S/C9H11NO3.Pb.2H/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;;;/h1-4,8,11H,5,10H2,(H,12,13);;;
InChIKeyJSRHWUPWMILPMT-UHFFFAOYSA-N
MW390.41 g/mol
LogP-0.57
Rot. Bonds3

About 2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane

2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane (PubChem CID 175006953) has the molecular formula C9H13NO3Pb and a molecular weight of 390.41 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane.

Molecular Properties

Compound Name2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
PubChem CID175006953
Molecular FormulaC9H13NO3Pb
Molecular Weight390.41 g/mol
Exact Mass391.07
IUPAC Name2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
SMILESNC(Cc1ccc(O)cc1)C(=O)O.[PbH2]
InChIInChI=1S/C9H11NO3.Pb.2H/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;;;/h1-4,8,11H,5,10H2,(H,12,13);;;
InChIKeyJSRHWUPWMILPMT-UHFFFAOYSA-N
XLogP-0.57
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
L-Tyrosine (disodium)
CID 66602062
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
CID 87217970
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
CID 161476497
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 66692874
2-amino-3-(4-hydroxyphenyl)propanoic acid;urea
CID 18402054
disodium;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 170924153
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride
CID 70404893
2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-hydroxypropanoic acid
CID 22500201
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;arsoric acid
CID 87073128

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane?
The IUPAC name of 2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane (CID 175006953) is 2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane.
What is the SMILES notation for 2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane?
The canonical SMILES for 2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane is NC(Cc1ccc(O)cc1)C(=O)O.[PbH2].
What is the InChIKey of 2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane?
The InChIKey is JSRHWUPWMILPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3.Pb.2H/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;;;/h1-4,8,11H,5,10H2,(H,12,13);;;.
What are the key properties of 2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane?
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane has a molecular weight of 390.41 g/mol, XLogP of -0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane is sourced from PubChem (CID 175006953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).