2-amino-3-phenylpropanoic acid;ethane

C13H23NO2 — CID 91596942

IUPAC2-amino-3-phenylpropanoic acid;ethane
SMILESCC.CC.NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2.2C2H6/c10-8(9(11)12)6-7-4-2-1-3-5-7;2*1-2/h1-5,8H,6,10H2,(H,11,12);2*1-2H3
InChIKeyUNPACUWBAMUWRY-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.69
Rot. Bonds3

About 2-amino-3-phenylpropanoic acid;ethane

2-amino-3-phenylpropanoic acid;ethane (PubChem CID 91596942) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-amino-3-phenylpropanoic acid;ethane.

Molecular Properties

Compound Name2-amino-3-phenylpropanoic acid;ethane
PubChem CID91596942
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-amino-3-phenylpropanoic acid;ethane
SMILESCC.CC.NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2.2C2H6/c10-8(9(11)12)6-7-4-2-1-3-5-7;2*1-2/h1-5,8H,6,10H2,(H,11,12);2*1-2H3
InChIKeyUNPACUWBAMUWRY-UHFFFAOYSA-N
XLogP2.69
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
(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 2-amino-3-phenylpropanoic acid;ethane?
The IUPAC name of 2-amino-3-phenylpropanoic acid;ethane (CID 91596942) is 2-amino-3-phenylpropanoic acid;ethane.
What is the SMILES notation for 2-amino-3-phenylpropanoic acid;ethane?
The canonical SMILES for 2-amino-3-phenylpropanoic acid;ethane is CC.CC.NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-3-phenylpropanoic acid;ethane?
The InChIKey is UNPACUWBAMUWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.2C2H6/c10-8(9(11)12)6-7-4-2-1-3-5-7;2*1-2/h1-5,8H,6,10H2,(H,11,12);2*1-2H3.
What are the key properties of 2-amino-3-phenylpropanoic acid;ethane?
2-amino-3-phenylpropanoic acid;ethane has a molecular weight of 225.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenylpropanoic acid;ethane is sourced from PubChem (CID 91596942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).