(2S)-2-amino-3-phenylpropanoic acid;astatane

C9H12AtNO2 — CID 174857071

IUPAC(2S)-2-amino-3-phenylpropanoic acid;astatane
SMILESN[C@@H](Cc1ccccc1)C(=O)O.[AtH]
InChIInChI=1S/C9H11NO2.AtH/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H,11,12);1H/t8-;/m0./s1
InChIKeyGEEUXXCSVVNQCJ-QRPNPIFTSA-N
MW376.20 g/mol
LogP0.37
Rot. Bonds3

About (2S)-2-amino-3-phenylpropanoic acid;astatane

(2S)-2-amino-3-phenylpropanoic acid;astatane (PubChem CID 174857071) has the molecular formula C9H12AtNO2 and a molecular weight of 376.20 g/mol. Its IUPAC name is (2S)-2-amino-3-phenylpropanoic acid;astatane.

Molecular Properties

Compound Name(2S)-2-amino-3-phenylpropanoic acid;astatane
PubChem CID174857071
Molecular FormulaC9H12AtNO2
Molecular Weight376.20 g/mol
Exact Mass376.07
IUPAC Name(2S)-2-amino-3-phenylpropanoic acid;astatane
SMILESN[C@@H](Cc1ccccc1)C(=O)O.[AtH]
InChIInChI=1S/C9H11NO2.AtH/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H,11,12);1H/t8-;/m0./s1
InChIKeyGEEUXXCSVVNQCJ-QRPNPIFTSA-N
XLogP0.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632
CID 70476310
CID 70476310
acetylene;(2S)-2-amino-3-phenylpropanoic acid
CID 158164827
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
alumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride
CID 173334199
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;astatane?
The IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;astatane (CID 174857071) is (2S)-2-amino-3-phenylpropanoic acid;astatane.
What is the SMILES notation for (2S)-2-amino-3-phenylpropanoic acid;astatane?
The canonical SMILES for (2S)-2-amino-3-phenylpropanoic acid;astatane is N[C@@H](Cc1ccccc1)C(=O)O.[AtH].
What is the InChIKey of (2S)-2-amino-3-phenylpropanoic acid;astatane?
The InChIKey is GEEUXXCSVVNQCJ-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H11NO2.AtH/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H,11,12);1H/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-3-phenylpropanoic acid;astatane?
(2S)-2-amino-3-phenylpropanoic acid;astatane has a molecular weight of 376.20 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenylpropanoic acid;astatane is sourced from PubChem (CID 174857071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).