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

C11H13NO2 — CID 158164827

IUPACacetylene;(2S)-2-amino-3-phenylpropanoic acid
SMILESC#C.N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2.C2H2/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-2/h1-5,8H,6,10H2,(H,11,12);1-2H/t8-;/m0./s1
InChIKeyFWSDAVYYSJQGNI-QRPNPIFTSA-N
MW191.23 g/mol
LogP0.89
Rot. Bonds3

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

acetylene;(2S)-2-amino-3-phenylpropanoic acid (PubChem CID 158164827) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is acetylene;(2S)-2-amino-3-phenylpropanoic acid.

Molecular Properties

Compound Nameacetylene;(2S)-2-amino-3-phenylpropanoic acid
PubChem CID158164827
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Nameacetylene;(2S)-2-amino-3-phenylpropanoic acid
SMILESC#C.N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2.C2H2/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-2/h1-5,8H,6,10H2,(H,11,12);1-2H/t8-;/m0./s1
InChIKeyFWSDAVYYSJQGNI-QRPNPIFTSA-N
XLogP0.89
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(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;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
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 acetylene;(2S)-2-amino-3-phenylpropanoic acid?
The IUPAC name of acetylene;(2S)-2-amino-3-phenylpropanoic acid (CID 158164827) is acetylene;(2S)-2-amino-3-phenylpropanoic acid.
What is the SMILES notation for acetylene;(2S)-2-amino-3-phenylpropanoic acid?
The canonical SMILES for acetylene;(2S)-2-amino-3-phenylpropanoic acid is C#C.N[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of acetylene;(2S)-2-amino-3-phenylpropanoic acid?
The InChIKey is FWSDAVYYSJQGNI-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H11NO2.C2H2/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-2/h1-5,8H,6,10H2,(H,11,12);1-2H/t8-;/m0./s1.
What are the key properties of acetylene;(2S)-2-amino-3-phenylpropanoic acid?
acetylene;(2S)-2-amino-3-phenylpropanoic acid has a molecular weight of 191.23 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(2S)-2-amino-3-phenylpropanoic acid is sourced from PubChem (CID 158164827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).