(2S)-2-amino-3-phenylpropanoic acid;1-hydroxypyrrolidine-2,5-dione

C13H16N2O5 — CID 160827059

IUPAC(2S)-2-amino-3-phenylpropanoic acid;1-hydroxypyrrolidine-2,5-dione
SMILESN[C@@H](Cc1ccccc1)C(=O)O.O=C1CCC(=O)N1O
InChIInChI=1S/C9H11NO2.C4H5NO3/c10-8(9(11)12)6-7-4-2-1-3-5-7;6-3-1-2-4(7)5(3)8/h1-5,8H,6,10H2,(H,11,12);8H,1-2H2/t8-;/m0./s1
InChIKeySGHVWLQFBVRRNK-QRPNPIFTSA-N
MW280.28 g/mol
LogP0.17
Rot. Bonds3

About (2S)-2-amino-3-phenylpropanoic acid;1-hydroxypyrrolidine-2,5-dione

(2S)-2-amino-3-phenylpropanoic acid;1-hydroxypyrrolidine-2,5-dione (PubChem CID 160827059) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is (2S)-2-amino-3-phenylpropanoic acid;1-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name(2S)-2-amino-3-phenylpropanoic acid;1-hydroxypyrrolidine-2,5-dione
PubChem CID160827059
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name(2S)-2-amino-3-phenylpropanoic acid;1-hydroxypyrrolidine-2,5-dione
SMILESN[C@@H](Cc1ccccc1)C(=O)O.O=C1CCC(=O)N1O
InChIInChI=1S/C9H11NO2.C4H5NO3/c10-8(9(11)12)6-7-4-2-1-3-5-7;6-3-1-2-4(7)5(3)8/h1-5,8H,6,10H2,(H,11,12);8H,1-2H2/t8-;/m0./s1
InChIKeySGHVWLQFBVRRNK-QRPNPIFTSA-N
XLogP0.17
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;1-hydroxypyrrolidine-2,5-dione?
The IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;1-hydroxypyrrolidine-2,5-dione (CID 160827059) is (2S)-2-amino-3-phenylpropanoic acid;1-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for (2S)-2-amino-3-phenylpropanoic acid;1-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for (2S)-2-amino-3-phenylpropanoic acid;1-hydroxypyrrolidine-2,5-dione is N[C@@H](Cc1ccccc1)C(=O)O.O=C1CCC(=O)N1O.
What is the InChIKey of (2S)-2-amino-3-phenylpropanoic acid;1-hydroxypyrrolidine-2,5-dione?
The InChIKey is SGHVWLQFBVRRNK-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H11NO2.C4H5NO3/c10-8(9(11)12)6-7-4-2-1-3-5-7;6-3-1-2-4(7)5(3)8/h1-5,8H,6,10H2,(H,11,12);8H,1-2H2/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-3-phenylpropanoic acid;1-hydroxypyrrolidine-2,5-dione?
(2S)-2-amino-3-phenylpropanoic acid;1-hydroxypyrrolidine-2,5-dione has a molecular weight of 280.28 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenylpropanoic acid;1-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 160827059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).