(2S)-2-[(2,6-dioxopiperidin-3-yl)methylamino]-3-phenylpropanoic acid

C15H18N2O4 — CID 141037172

IUPAC(2S)-2-[(2,6-dioxopiperidin-3-yl)methylamino]-3-phenylpropanoic acid
SMILESO=C1CCC(CN[C@@H](Cc2ccccc2)C(=O)O)C(=O)N1
InChIInChI=1S/C15H18N2O4/c18-13-7-6-11(14(19)17-13)9-16-12(15(20)21)8-10-4-2-1-3-5-10/h1-5,11-12,16H,6-9H2,(H,20,21)(H,17,18,19)/t11?,12-/m0/s1
InChIKeyKASUFQXBRSHLOT-KIYNQFGBSA-N
MW290.32 g/mol
LogP0.32
Rot. Bonds6

About (2S)-2-[(2,6-dioxopiperidin-3-yl)methylamino]-3-phenylpropanoic acid

(2S)-2-[(2,6-dioxopiperidin-3-yl)methylamino]-3-phenylpropanoic acid (PubChem CID 141037172) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2S)-2-[(2,6-dioxopiperidin-3-yl)methylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2,6-dioxopiperidin-3-yl)methylamino]-3-phenylpropanoic acid
PubChem CID141037172
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(2S)-2-[(2,6-dioxopiperidin-3-yl)methylamino]-3-phenylpropanoic acid
SMILESO=C1CCC(CN[C@@H](Cc2ccccc2)C(=O)O)C(=O)N1
InChIInChI=1S/C15H18N2O4/c18-13-7-6-11(14(19)17-13)9-16-12(15(20)21)8-10-4-2-1-3-5-10/h1-5,11-12,16H,6-9H2,(H,20,21)(H,17,18,19)/t11?,12-/m0/s1
InChIKeyKASUFQXBRSHLOT-KIYNQFGBSA-N
XLogP0.32
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,6-dioxopiperidin-3-yl)methylamino]-3-phenylpropanoic acid
CID 174434170
(2R)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropanoic acid
CID 99779349
4-[[(2,6-dioxopiperidin-3-yl)methylamino]methyl]benzoic acid
CID 18762687
(2S)-2-[3-(5-oxopyrrolidin-2-yl)propanoylamino]-3-phenylpropanoic acid
CID 54551434
(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004
(2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]-3-phenylpropanoic acid
CID 166425969
(2S)-2-acetamido-N-[(2S)-1-(2,6-dioxopiperidin-3-yl)-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide
CID 22860935
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
(2S)-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 167825475
2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134
(2R)-3-phenyl-2-(phosphanylamino)propanoic acid
CID 70012014
(2S)-2-(ethylsulfanylmethylamino)-3-phenylpropanoic acid
CID 67703263

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,6-dioxopiperidin-3-yl)methylamino]-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-[(2,6-dioxopiperidin-3-yl)methylamino]-3-phenylpropanoic acid (CID 141037172) is (2S)-2-[(2,6-dioxopiperidin-3-yl)methylamino]-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-[(2,6-dioxopiperidin-3-yl)methylamino]-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-[(2,6-dioxopiperidin-3-yl)methylamino]-3-phenylpropanoic acid is O=C1CCC(CN[C@@H](Cc2ccccc2)C(=O)O)C(=O)N1.
What is the InChIKey of (2S)-2-[(2,6-dioxopiperidin-3-yl)methylamino]-3-phenylpropanoic acid?
The InChIKey is KASUFQXBRSHLOT-KIYNQFGBSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-13-7-6-11(14(19)17-13)9-16-12(15(20)21)8-10-4-2-1-3-5-10/h1-5,11-12,16H,6-9H2,(H,20,21)(H,17,18,19)/t11?,12-/m0/s1.
What are the key properties of (2S)-2-[(2,6-dioxopiperidin-3-yl)methylamino]-3-phenylpropanoic acid?
(2S)-2-[(2,6-dioxopiperidin-3-yl)methylamino]-3-phenylpropanoic acid has a molecular weight of 290.32 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,6-dioxopiperidin-3-yl)methylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 141037172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).