potassium 2-amino-3-phenylpropanoate

C9H10KNO2 — CID 23692488

IUPACpotassium 2-amino-3-phenylpropanoate
SMILESNC(Cc1ccccc1)C(=O)[O-].[K+]
InChIInChI=1S/C9H11NO2.K/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H,11,12);/q;+1/p-1
InChIKeyWLUAMVWDNMTCAO-UHFFFAOYSA-M
MW203.28 g/mol
LogP-3.69
Rot. Bonds3

About potassium 2-amino-3-phenylpropanoate

potassium 2-amino-3-phenylpropanoate (PubChem CID 23692488) has the molecular formula C9H10KNO2 and a molecular weight of 203.28 g/mol. Its IUPAC name is potassium 2-amino-3-phenylpropanoate.

Molecular Properties

Compound Namepotassium 2-amino-3-phenylpropanoate
PubChem CID23692488
Molecular FormulaC9H10KNO2
Molecular Weight203.28 g/mol
Exact Mass203.03
IUPAC Namepotassium 2-amino-3-phenylpropanoate
SMILESNC(Cc1ccccc1)C(=O)[O-].[K+]
InChIInChI=1S/C9H11NO2.K/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H,11,12);/q;+1/p-1
InChIKeyWLUAMVWDNMTCAO-UHFFFAOYSA-M
XLogP-3.69
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 5-3.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

copper bis((2S)-2-amino-3-phenylpropanoate)
CID 12989540
(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
sodium;(2S)-2-amino-3-phenylpropanoate;decanoic acid
CID 89052494
tris((2S)-2-amino-3-(4-hydroxyphenyl)propanoate);gold(3+)
CID 173365455
2-amino-3-(3-hydroxyphenyl)propanoate
CID 22492054
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193

Frequently Asked Questions

What is the IUPAC name of potassium 2-amino-3-phenylpropanoate?
The IUPAC name of potassium 2-amino-3-phenylpropanoate (CID 23692488) is potassium 2-amino-3-phenylpropanoate.
What is the SMILES notation for potassium 2-amino-3-phenylpropanoate?
The canonical SMILES for potassium 2-amino-3-phenylpropanoate is NC(Cc1ccccc1)C(=O)[O-].[K+].
What is the InChIKey of potassium 2-amino-3-phenylpropanoate?
The InChIKey is WLUAMVWDNMTCAO-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11NO2.K/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H,11,12);/q;+1/p-1.
What are the key properties of potassium 2-amino-3-phenylpropanoate?
potassium 2-amino-3-phenylpropanoate has a molecular weight of 203.28 g/mol, XLogP of -3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-amino-3-phenylpropanoate is sourced from PubChem (CID 23692488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).