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

C11H17NO3 — CID 129063061

IUPAC(2S)-2-amino-3-phenylpropanoic acid;ethanol
SMILESCCO.N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2.C2H6O/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-2-3/h1-5,8H,6,10H2,(H,11,12);3H,2H2,1H3/t8-;/m0./s1
InChIKeyIPUUGQUFDIWIMW-QRPNPIFTSA-N
MW211.26 g/mol
LogP0.64
Rot. Bonds3

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

(2S)-2-amino-3-phenylpropanoic acid;ethanol (PubChem CID 129063061) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (2S)-2-amino-3-phenylpropanoic acid;ethanol.

Molecular Properties

Compound Name(2S)-2-amino-3-phenylpropanoic acid;ethanol
PubChem CID129063061
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(2S)-2-amino-3-phenylpropanoic acid;ethanol
SMILESCCO.N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2.C2H6O/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-2-3/h1-5,8H,6,10H2,(H,11,12);3H,2H2,1H3/t8-;/m0./s1
InChIKeyIPUUGQUFDIWIMW-QRPNPIFTSA-N
XLogP0.64
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
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;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
(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;ethanol?
The IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;ethanol (CID 129063061) is (2S)-2-amino-3-phenylpropanoic acid;ethanol.
What is the SMILES notation for (2S)-2-amino-3-phenylpropanoic acid;ethanol?
The canonical SMILES for (2S)-2-amino-3-phenylpropanoic acid;ethanol is CCO.N[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-phenylpropanoic acid;ethanol?
The InChIKey is IPUUGQUFDIWIMW-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H11NO2.C2H6O/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-2-3/h1-5,8H,6,10H2,(H,11,12);3H,2H2,1H3/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-3-phenylpropanoic acid;ethanol?
(2S)-2-amino-3-phenylpropanoic acid;ethanol has a molecular weight of 211.26 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenylpropanoic acid;ethanol is sourced from PubChem (CID 129063061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).