(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)

C15H25N3O6 — CID 67264912

IUPAC(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)
SMILESC[C@H](N)C(=O)O.C[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2.2C3H7NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7;2*1-2(4)3(5)6/h1-5,8H,6,10H2,(H,11,12);2*2H,4H2,1H3,(H,5,6)/t8-;2*2-/m000/s1
InChIKeyXWSCLZMUDWWELM-ILFUFHRESA-N
MW343.38 g/mol
LogP-0.52
Rot. Bonds5

About (2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)

(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid) (PubChem CID 67264912) has the molecular formula C15H25N3O6 and a molecular weight of 343.38 g/mol. Its IUPAC name is (2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid).

Molecular Properties

Compound Name(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)
PubChem CID67264912
Molecular FormulaC15H25N3O6
Molecular Weight343.38 g/mol
Exact Mass343.17
IUPAC Name(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)
SMILESC[C@H](N)C(=O)O.C[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2.2C3H7NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7;2*1-2(4)3(5)6/h1-5,8H,6,10H2,(H,11,12);2*2H,4H2,1H3,(H,5,6)/t8-;2*2-/m000/s1
InChIKeyXWSCLZMUDWWELM-ILFUFHRESA-N
XLogP-0.52
TPSA189.96 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.38
LogP ≤ 5-0.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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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;2-hydroxypropanoic acid;hydrochloride
CID 158951284
(2S)-2-amino-3-phenylpropanoic acid;ethanol
CID 129063061
CID 70476310
CID 70476310
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;bis((2S)-2-aminopropanoic acid)?
The IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid) (CID 67264912) is (2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid).
What is the SMILES notation for (2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)?
The canonical SMILES for (2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid) is C[C@H](N)C(=O)O.C[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)?
The InChIKey is XWSCLZMUDWWELM-ILFUFHRESA-N. The full InChI is InChI=1S/C9H11NO2.2C3H7NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7;2*1-2(4)3(5)6/h1-5,8H,6,10H2,(H,11,12);2*2H,4H2,1H3,(H,5,6)/t8-;2*2-/m000/s1.
What are the key properties of (2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)?
(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid) has a molecular weight of 343.38 g/mol, XLogP of -0.52, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid) is sourced from PubChem (CID 67264912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).