(2S)-2-amino-3-phenylpropanoic acid;2-hydroxypropanoic acid;hydrochloride

C12H18ClNO5 — CID 158951284

IUPAC(2S)-2-amino-3-phenylpropanoic acid;2-hydroxypropanoic acid;hydrochloride
SMILESCC(O)C(=O)O.Cl.N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2.C3H6O3.ClH/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-2(4)3(5)6;/h1-5,8H,6,10H2,(H,11,12);2,4H,1H3,(H,5,6);1H/t8-;;/m0../s1
InChIKeyJLLNECYOMGAVRW-JZGIKJSDSA-N
MW291.73 g/mol
LogP0.51
Rot. Bonds4

About (2S)-2-amino-3-phenylpropanoic acid;2-hydroxypropanoic acid;hydrochloride

(2S)-2-amino-3-phenylpropanoic acid;2-hydroxypropanoic acid;hydrochloride (PubChem CID 158951284) has the molecular formula C12H18ClNO5 and a molecular weight of 291.73 g/mol. Its IUPAC name is (2S)-2-amino-3-phenylpropanoic acid;2-hydroxypropanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-phenylpropanoic acid;2-hydroxypropanoic acid;hydrochloride
PubChem CID158951284
Molecular FormulaC12H18ClNO5
Molecular Weight291.73 g/mol
Exact Mass291.09
IUPAC Name(2S)-2-amino-3-phenylpropanoic acid;2-hydroxypropanoic acid;hydrochloride
SMILESCC(O)C(=O)O.Cl.N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2.C3H6O3.ClH/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-2(4)3(5)6;/h1-5,8H,6,10H2,(H,11,12);2,4H,1H3,(H,5,6);1H/t8-;;/m0../s1
InChIKeyJLLNECYOMGAVRW-JZGIKJSDSA-N
XLogP0.51
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)
CID 67264912
(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
alumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride
CID 173334199
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
(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;ethanol
CID 129063061
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;2-hydroxypropanoic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;2-hydroxypropanoic acid;hydrochloride (CID 158951284) is (2S)-2-amino-3-phenylpropanoic acid;2-hydroxypropanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-phenylpropanoic acid;2-hydroxypropanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-phenylpropanoic acid;2-hydroxypropanoic acid;hydrochloride is CC(O)C(=O)O.Cl.N[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-phenylpropanoic acid;2-hydroxypropanoic acid;hydrochloride?
The InChIKey is JLLNECYOMGAVRW-JZGIKJSDSA-N. The full InChI is InChI=1S/C9H11NO2.C3H6O3.ClH/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-2(4)3(5)6;/h1-5,8H,6,10H2,(H,11,12);2,4H,1H3,(H,5,6);1H/t8-;;/m0../s1.
What are the key properties of (2S)-2-amino-3-phenylpropanoic acid;2-hydroxypropanoic acid;hydrochloride?
(2S)-2-amino-3-phenylpropanoic acid;2-hydroxypropanoic acid;hydrochloride has a molecular weight of 291.73 g/mol, XLogP of 0.51, 4 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;2-hydroxypropanoic acid;hydrochloride is sourced from PubChem (CID 158951284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).