(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane

C22H34N2O4 — CID 161384193

IUPAC(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
SMILESCC.CC.N[C@@H](Cc1ccccc1)C(=O)O.N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/2C9H11NO2.2C2H6/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;2*1-2/h2*1-5,8H,6,10H2,(H,11,12);2*1-2H3/t2*8-;;/m10../s1
InChIKeyVSCRNSGTYLUJIO-LECXEVRZSA-N
MW390.52 g/mol
LogP3.33
Rot. Bonds6

About (2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane

(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane (PubChem CID 161384193) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is (2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane.

Molecular Properties

Compound Name(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
PubChem CID161384193
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC Name(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
SMILESCC.CC.N[C@@H](Cc1ccccc1)C(=O)O.N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/2C9H11NO2.2C2H6/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;2*1-2/h2*1-5,8H,6,10H2,(H,11,12);2*1-2H3/t2*8-;;/m10../s1
InChIKeyVSCRNSGTYLUJIO-LECXEVRZSA-N
XLogP3.33
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-phenylpropanoic acid;ethane
CID 91596942
(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;astatane
CID 174857071
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;ethanol
CID 129063061
(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)
CID 67264912
CID 70476310
CID 70476310
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632
acetylene;(2S)-2-amino-3-phenylpropanoic acid
CID 158164827

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane?
The IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane (CID 161384193) is (2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane.
What is the SMILES notation for (2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane?
The canonical SMILES for (2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane is CC.CC.N[C@@H](Cc1ccccc1)C(=O)O.N[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane?
The InChIKey is VSCRNSGTYLUJIO-LECXEVRZSA-N. The full InChI is InChI=1S/2C9H11NO2.2C2H6/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;2*1-2/h2*1-5,8H,6,10H2,(H,11,12);2*1-2H3/t2*8-;;/m10../s1.
What are the key properties of (2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane?
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane has a molecular weight of 390.52 g/mol, XLogP of 3.33, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane is sourced from PubChem (CID 161384193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).