[5-(2-amino-2-carboxypropyl)-2-hydroxyphenyl](211At)astatine-211

C10H12AtNO3 — CID 155761208

IUPAC[5-(2-amino-2-carboxypropyl)-2-hydroxyphenyl](211At)astatine-211
SMILESCC(N)(Cc1ccc(O)c([211At])c1)C(=O)O
InChIInChI=1S/C10H12AtNO3/c1-10(12,9(14)15)5-6-2-3-8(13)7(11)4-6/h2-4,13H,5,12H2,1H3,(H,14,15)/i11+1
InChIKeyZNCWJRLGKDLIGY-KHWBWMQUSA-N
MW405.20 g/mol
LogP-0.09
Rot. Bonds3

About [5-(2-amino-2-carboxypropyl)-2-hydroxyphenyl](211At)astatine-211

[5-(2-amino-2-carboxypropyl)-2-hydroxyphenyl](211At)astatine-211 (PubChem CID 155761208) has the molecular formula C10H12AtNO3 and a molecular weight of 405.20 g/mol. Its IUPAC name is [5-(2-amino-2-carboxypropyl)-2-hydroxyphenyl](211At)astatine-211.

Molecular Properties

Compound Name[5-(2-amino-2-carboxypropyl)-2-hydroxyphenyl](211At)astatine-211
PubChem CID155761208
Molecular FormulaC10H12AtNO3
Molecular Weight405.20 g/mol
Exact Mass405.07
IUPAC Name[5-(2-amino-2-carboxypropyl)-2-hydroxyphenyl](211At)astatine-211
SMILESCC(N)(Cc1ccc(O)c([211At])c1)C(=O)O
InChIInChI=1S/C10H12AtNO3/c1-10(12,9(14)15)5-6-2-3-8(13)7(11)4-6/h2-4,13H,5,12H2,1H3,(H,14,15)/i11+1
InChIKeyZNCWJRLGKDLIGY-KHWBWMQUSA-N
XLogP-0.09
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.20
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-2-amino-3-(3-borono-4-hydroxyphenyl)-2-methylpropanoic acid
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(2S)-2-amino-3-(4-amino-3-hydroxyphenyl)-2-methylpropanoic acid
CID 57311138
5-[(2S)-2-amino-2-carboxypropyl]-2-hydroxybenzoic acid;dihydrate;hydrochloride
CID 70604204
2-amino-3-(3-cyano-4-hydroxyphenyl)-2-methylpropanoic acid
CID 23458867
(2R)-2-amino-3-(3,4-diaminophenyl)-2-methylpropanoic acid
CID 70564391
2-amino-3-(3-hydroxyphenyl)-2-methylpropanoic acid;hydrate
CID 2729001
(3R)-3-amino-4-(3,4-dihydroxyphenyl)-3-methylbutan-2-one
CID 163965767
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
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2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid
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CID 10446808

Frequently Asked Questions

What is the IUPAC name of [5-(2-amino-2-carboxypropyl)-2-hydroxyphenyl](211At)astatine-211?
The IUPAC name of [5-(2-amino-2-carboxypropyl)-2-hydroxyphenyl](211At)astatine-211 (CID 155761208) is [5-(2-amino-2-carboxypropyl)-2-hydroxyphenyl](211At)astatine-211.
What is the SMILES notation for [5-(2-amino-2-carboxypropyl)-2-hydroxyphenyl](211At)astatine-211?
The canonical SMILES for [5-(2-amino-2-carboxypropyl)-2-hydroxyphenyl](211At)astatine-211 is CC(N)(Cc1ccc(O)c([211At])c1)C(=O)O.
What is the InChIKey of [5-(2-amino-2-carboxypropyl)-2-hydroxyphenyl](211At)astatine-211?
The InChIKey is ZNCWJRLGKDLIGY-KHWBWMQUSA-N. The full InChI is InChI=1S/C10H12AtNO3/c1-10(12,9(14)15)5-6-2-3-8(13)7(11)4-6/h2-4,13H,5,12H2,1H3,(H,14,15)/i11+1.
What are the key properties of [5-(2-amino-2-carboxypropyl)-2-hydroxyphenyl](211At)astatine-211?
[5-(2-amino-2-carboxypropyl)-2-hydroxyphenyl](211At)astatine-211 has a molecular weight of 405.20 g/mol, XLogP of -0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-amino-2-carboxypropyl)-2-hydroxyphenyl](211At)astatine-211 is sourced from PubChem (CID 155761208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).