(2R)-2-amino-3-phenylpropanoic acid;(2R)-2-(methanesulfonamido)-3-phenylpropanoic acid

C19H24N2O6S — CID 22867971

IUPAC(2R)-2-amino-3-phenylpropanoic acid;(2R)-2-(methanesulfonamido)-3-phenylpropanoic acid
SMILESCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)O.N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO4S.C9H11NO2/c1-16(14,15)11-9(10(12)13)7-8-5-3-2-4-6-8;10-8(9(11)12)6-7-4-2-1-3-5-7/h2-6,9,11H,7H2,1H3,(H,12,13);1-5,8H,6,10H2,(H,11,12)/t9-;8-/m11/s1
InChIKeyYAHNBFJQPJMKNM-PNESFZTOSA-N
MW408.48 g/mol
LogP0.87
Rot. Bonds8

About (2R)-2-amino-3-phenylpropanoic acid;(2R)-2-(methanesulfonamido)-3-phenylpropanoic acid

(2R)-2-amino-3-phenylpropanoic acid;(2R)-2-(methanesulfonamido)-3-phenylpropanoic acid (PubChem CID 22867971) has the molecular formula C19H24N2O6S and a molecular weight of 408.48 g/mol. Its IUPAC name is (2R)-2-amino-3-phenylpropanoic acid;(2R)-2-(methanesulfonamido)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-phenylpropanoic acid;(2R)-2-(methanesulfonamido)-3-phenylpropanoic acid
PubChem CID22867971
Molecular FormulaC19H24N2O6S
Molecular Weight408.48 g/mol
Exact Mass408.14
IUPAC Name(2R)-2-amino-3-phenylpropanoic acid;(2R)-2-(methanesulfonamido)-3-phenylpropanoic acid
SMILESCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)O.N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO4S.C9H11NO2/c1-16(14,15)11-9(10(12)13)7-8-5-3-2-4-6-8;10-8(9(11)12)6-7-4-2-1-3-5-7/h2-6,9,11H,7H2,1H3,(H,12,13);1-5,8H,6,10H2,(H,11,12)/t9-;8-/m11/s1
InChIKeyYAHNBFJQPJMKNM-PNESFZTOSA-N
XLogP0.87
TPSA146.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 50.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

chloromethyl (2S)-2-(methanesulfonamido)-3-phenylpropanoate
CID 174358903
(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;1,1'-biphenyl
CID 67133421
(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
2-(methylsulfonylmethylsulfonylamino)-3-phenylpropanoic acid
CID 82840375
2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 66615741

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-phenylpropanoic acid;(2R)-2-(methanesulfonamido)-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-phenylpropanoic acid;(2R)-2-(methanesulfonamido)-3-phenylpropanoic acid (CID 22867971) is (2R)-2-amino-3-phenylpropanoic acid;(2R)-2-(methanesulfonamido)-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-phenylpropanoic acid;(2R)-2-(methanesulfonamido)-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-phenylpropanoic acid;(2R)-2-(methanesulfonamido)-3-phenylpropanoic acid is CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)O.N[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-phenylpropanoic acid;(2R)-2-(methanesulfonamido)-3-phenylpropanoic acid?
The InChIKey is YAHNBFJQPJMKNM-PNESFZTOSA-N. The full InChI is InChI=1S/C10H13NO4S.C9H11NO2/c1-16(14,15)11-9(10(12)13)7-8-5-3-2-4-6-8;10-8(9(11)12)6-7-4-2-1-3-5-7/h2-6,9,11H,7H2,1H3,(H,12,13);1-5,8H,6,10H2,(H,11,12)/t9-;8-/m11/s1.
What are the key properties of (2R)-2-amino-3-phenylpropanoic acid;(2R)-2-(methanesulfonamido)-3-phenylpropanoic acid?
(2R)-2-amino-3-phenylpropanoic acid;(2R)-2-(methanesulfonamido)-3-phenylpropanoic acid has a molecular weight of 408.48 g/mol, XLogP of 0.87, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-phenylpropanoic acid;(2R)-2-(methanesulfonamido)-3-phenylpropanoic acid is sourced from PubChem (CID 22867971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).