(2S)-2-amino-3-phenylpropanoic acid;azane

C9H17N3O2 — CID 163512949

IUPAC(2S)-2-amino-3-phenylpropanoic acid;azane
SMILESN.N.N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2.2H3N/c10-8(9(11)12)6-7-4-2-1-3-5-7;;/h1-5,8H,6,10H2,(H,11,12);2*1H3/t8-;;/m0../s1
InChIKeyHMYINQHPNJNAEG-JZGIKJSDSA-N
MW199.25 g/mol
LogP0.96
Rot. Bonds3

About (2S)-2-amino-3-phenylpropanoic acid;azane

(2S)-2-amino-3-phenylpropanoic acid;azane (PubChem CID 163512949) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2S)-2-amino-3-phenylpropanoic acid;azane.

Molecular Properties

Compound Name(2S)-2-amino-3-phenylpropanoic acid;azane
PubChem CID163512949
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name(2S)-2-amino-3-phenylpropanoic acid;azane
SMILESN.N.N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2.2H3N/c10-8(9(11)12)6-7-4-2-1-3-5-7;;/h1-5,8H,6,10H2,(H,11,12);2*1H3/t8-;;/m0../s1
InChIKeyHMYINQHPNJNAEG-JZGIKJSDSA-N
XLogP0.96
TPSA133.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(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
alumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride
CID 173334199
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;azane?
The IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;azane (CID 163512949) is (2S)-2-amino-3-phenylpropanoic acid;azane.
What is the SMILES notation for (2S)-2-amino-3-phenylpropanoic acid;azane?
The canonical SMILES for (2S)-2-amino-3-phenylpropanoic acid;azane is N.N.N[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-phenylpropanoic acid;azane?
The InChIKey is HMYINQHPNJNAEG-JZGIKJSDSA-N. The full InChI is InChI=1S/C9H11NO2.2H3N/c10-8(9(11)12)6-7-4-2-1-3-5-7;;/h1-5,8H,6,10H2,(H,11,12);2*1H3/t8-;;/m0../s1.
What are the key properties of (2S)-2-amino-3-phenylpropanoic acid;azane?
(2S)-2-amino-3-phenylpropanoic acid;azane has a molecular weight of 199.25 g/mol, XLogP of 0.96, 3 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;azane is sourced from PubChem (CID 163512949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).