3-prop-2-enoxypropyl 5-amino-4-(7-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate

C19H24N2O6 — CID 146526520

IUPAC3-prop-2-enoxypropyl 5-amino-4-(7-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate
SMILESC=CCOCCCOC(=O)CCC(C(N)=O)N1Cc2c(O)cccc2C1=O
InChIInChI=1S/C19H24N2O6/c1-2-9-26-10-4-11-27-17(23)8-7-15(18(20)24)21-12-14-13(19(21)25)5-3-6-16(14)22/h2-3,5-6,15,22H,1,4,7-12H2,(H2,20,24)
InChIKeyJKBYUDQSPXMFBT-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.12
Rot. Bonds11

About 3-prop-2-enoxypropyl 5-amino-4-(7-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate

3-prop-2-enoxypropyl 5-amino-4-(7-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate (PubChem CID 146526520) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is 3-prop-2-enoxypropyl 5-amino-4-(7-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate.

Molecular Properties

Compound Name3-prop-2-enoxypropyl 5-amino-4-(7-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate
PubChem CID146526520
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Name3-prop-2-enoxypropyl 5-amino-4-(7-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate
SMILESC=CCOCCCOC(=O)CCC(C(N)=O)N1Cc2c(O)cccc2C1=O
InChIInChI=1S/C19H24N2O6/c1-2-9-26-10-4-11-27-17(23)8-7-15(18(20)24)21-12-14-13(19(21)25)5-3-6-16(14)22/h2-3,5-6,15,22H,1,4,7-12H2,(H2,20,24)
InChIKeyJKBYUDQSPXMFBT-UHFFFAOYSA-N
XLogP1.12
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxy thalidomide
CID 11778087
3-(4-hydroxy-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
CID 25015582
3-(6-hydroxy-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
CID 71517903
2H-Isoindole-2-acetic acid, alpha-(3-amino-3-oxopropyl)-1,3-dihydro-5-hydroxy-1,3-dioxo-
CID 254339
HMB-Val-Ser-Leu-VE
CID 11752486
3-(3-oxo-7-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione
CID 25015657
ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-6-methylhept-2-enoate
CID 11238110
Hmb-Val-Gln-Leu-VE
CID 16084592
ethyl (E,4S)-7-amino-4-[[(2S)-2-[[(2S)-2-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-7-oxohept-2-enoate
CID 16724017
ethyl (E,4S)-7-amino-4-[[(2S)-3-hydroxy-2-[[(2S)-2-[(3-hydroxy-2-methylbenzoyl)amino]-3-methylbutanoyl]amino]propanoyl]amino]-7-oxohept-2-enoate
CID 16724135
Hmb-Phe-Gln-Leu-VE
CID 44411546
3-(7-Hydroxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione
CID 71517904

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxypropyl 5-amino-4-(7-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate?
The IUPAC name of 3-prop-2-enoxypropyl 5-amino-4-(7-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate (CID 146526520) is 3-prop-2-enoxypropyl 5-amino-4-(7-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate.
What is the SMILES notation for 3-prop-2-enoxypropyl 5-amino-4-(7-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate?
The canonical SMILES for 3-prop-2-enoxypropyl 5-amino-4-(7-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate is C=CCOCCCOC(=O)CCC(C(N)=O)N1Cc2c(O)cccc2C1=O.
What is the InChIKey of 3-prop-2-enoxypropyl 5-amino-4-(7-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate?
The InChIKey is JKBYUDQSPXMFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-2-9-26-10-4-11-27-17(23)8-7-15(18(20)24)21-12-14-13(19(21)25)5-3-6-16(14)22/h2-3,5-6,15,22H,1,4,7-12H2,(H2,20,24).
What are the key properties of 3-prop-2-enoxypropyl 5-amino-4-(7-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate?
3-prop-2-enoxypropyl 5-amino-4-(7-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate has a molecular weight of 376.41 g/mol, XLogP of 1.12, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxypropyl 5-amino-4-(7-hydroxy-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate is sourced from PubChem (CID 146526520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).