N-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphonamidic acid

C14H18N3O8P — CID 159381577

IUPACN-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphonamidic acid
SMILESO=C(CCNP(=O)(O)CCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H18N3O8P/c18-10-2-3-11(19)16(10)8-1-9-26(23,24)15-7-6-14(22)25-17-12(20)4-5-13(17)21/h2-3H,1,4-9H2,(H2,15,23,24)
InChIKeyHHHBKSOTTNRXKT-UHFFFAOYSA-N
MW387.29 g/mol
LogP-0.93
Rot. Bonds9

About N-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphonamidic acid

N-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphonamidic acid (PubChem CID 159381577) has the molecular formula C14H18N3O8P and a molecular weight of 387.29 g/mol. Its IUPAC name is N-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphonamidic acid.

Molecular Properties

Compound NameN-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphonamidic acid
PubChem CID159381577
Molecular FormulaC14H18N3O8P
Molecular Weight387.29 g/mol
Exact Mass387.08
IUPAC NameN-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphonamidic acid
SMILESO=C(CCNP(=O)(O)CCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H18N3O8P/c18-10-2-3-11(19)16(10)8-1-9-26(23,24)15-7-6-14(22)25-17-12(20)4-5-13(17)21/h2-3H,1,4-9H2,(H2,15,23,24)
InChIKeyHHHBKSOTTNRXKT-UHFFFAOYSA-N
XLogP-0.93
TPSA150.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 90178635
CID 90178635
CID 118342136
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CID 118362410
CID 118362410
CID 118416522
CID 118416522
CID 118416554
CID 118416554
CID 118423985
CID 118423985
CID 118426424
CID 118426424
CID 118426452
CID 118426452
CID 134451504
CID 134451504
CID 138602822
CID 138602822
CID 138606231
CID 138606231
CID 166716068
CID 166716068

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphonamidic acid?
The IUPAC name of N-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphonamidic acid (CID 159381577) is N-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphonamidic acid.
What is the SMILES notation for N-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphonamidic acid?
The canonical SMILES for N-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphonamidic acid is O=C(CCNP(=O)(O)CCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.
What is the InChIKey of N-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphonamidic acid?
The InChIKey is HHHBKSOTTNRXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N3O8P/c18-10-2-3-11(19)16(10)8-1-9-26(23,24)15-7-6-14(22)25-17-12(20)4-5-13(17)21/h2-3H,1,4-9H2,(H2,15,23,24).
What are the key properties of N-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphonamidic acid?
N-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphonamidic acid has a molecular weight of 387.29 g/mol, XLogP of -0.93, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphonamidic acid is sourced from PubChem (CID 159381577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).