2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetic acid

C17H21FN4O5 — CID 156505941

IUPAC2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetic acid
SMILESO=C(O)CC1(O)CCN(c2ncc(N[C@@H]3CCC(=O)NC3=O)cc2F)CC1
InChIInChI=1S/C17H21FN4O5/c18-11-7-10(20-12-1-2-13(23)21-16(12)26)9-19-15(11)22-5-3-17(27,4-6-22)8-14(24)25/h7,9,12,20,27H,1-6,8H2,(H,24,25)(H,21,23,26)/t12-/m1/s1
InChIKeyLZSFKKXWUOAFEN-GFCCVEGCSA-N
MW380.38 g/mol
LogP0.24
Rot. Bonds5

About 2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetic acid

2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetic acid (PubChem CID 156505941) has the molecular formula C17H21FN4O5 and a molecular weight of 380.38 g/mol. Its IUPAC name is 2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetic acid
PubChem CID156505941
Molecular FormulaC17H21FN4O5
Molecular Weight380.38 g/mol
Exact Mass380.15
IUPAC Name2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetic acid
SMILESO=C(O)CC1(O)CCN(c2ncc(N[C@@H]3CCC(=O)NC3=O)cc2F)CC1
InChIInChI=1S/C17H21FN4O5/c18-11-7-10(20-12-1-2-13(23)21-16(12)26)9-19-15(11)22-5-3-17(27,4-6-22)8-14(24)25/h7,9,12,20,27H,1-6,8H2,(H,24,25)(H,21,23,26)/t12-/m1/s1
InChIKeyLZSFKKXWUOAFEN-GFCCVEGCSA-N
XLogP0.24
TPSA131.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetic acid (CID 156505941) is 2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetic acid is O=C(O)CC1(O)CCN(c2ncc(N[C@@H]3CCC(=O)NC3=O)cc2F)CC1.
What is the InChIKey of 2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetic acid?
The InChIKey is LZSFKKXWUOAFEN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21FN4O5/c18-11-7-10(20-12-1-2-13(23)21-16(12)26)9-19-15(11)22-5-3-17(27,4-6-22)8-14(24)25/h7,9,12,20,27H,1-6,8H2,(H,24,25)(H,21,23,26)/t12-/m1/s1.
What are the key properties of 2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetic acid?
2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetic acid has a molecular weight of 380.38 g/mol, XLogP of 0.24, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetic acid is sourced from PubChem (CID 156505941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).