(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl

C21H21NO2 — CID 67133421

IUPAC(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
SMILESN[C@@H](Cc1ccccc1)C(=O)O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C9H11NO2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;10-8(9(11)12)6-7-4-2-1-3-5-7/h1-10H;1-5,8H,6,10H2,(H,11,12)/t;8-/m.0/s1
InChIKeyDFFRRXWWHJCMIX-WDBKTSHHSA-N
MW319.40 g/mol
LogP3.99
Rot. Bonds4

About (2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl

(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl (PubChem CID 67133421) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is (2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl.

Molecular Properties

Compound Name(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
PubChem CID67133421
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
SMILESN[C@@H](Cc1ccccc1)C(=O)O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C9H11NO2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;10-8(9(11)12)6-7-4-2-1-3-5-7/h1-10H;1-5,8H,6,10H2,(H,11,12)/t;8-/m.0/s1
InChIKeyDFFRRXWWHJCMIX-WDBKTSHHSA-N
XLogP3.99
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
(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
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632
CID 70476310
CID 70476310
acetylene;(2S)-2-amino-3-phenylpropanoic acid
CID 158164827
2-amino-3-phenylpropanoic acid;ethane
CID 91596942

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl?
The IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl (CID 67133421) is (2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl.
What is the SMILES notation for (2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl?
The canonical SMILES for (2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl is N[C@@H](Cc1ccccc1)C(=O)O.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl?
The InChIKey is DFFRRXWWHJCMIX-WDBKTSHHSA-N. The full InChI is InChI=1S/C12H10.C9H11NO2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;10-8(9(11)12)6-7-4-2-1-3-5-7/h1-10H;1-5,8H,6,10H2,(H,11,12)/t;8-/m.0/s1.
What are the key properties of (2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl?
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl has a molecular weight of 319.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl is sourced from PubChem (CID 67133421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).