CID 166530547

C4H13NO3P2 — CID 166530547

IUPAC—
SMILESNP.O=C(O)CCCOP
InChIInChI=1S/C4H9O3P.H4NP/c5-4(6)2-1-3-7-8;1-2/h1-3,8H2,(H,5,6);1-2H2
InChIKeyITIYJELSOGNWBE-UHFFFAOYSA-N
MW185.10 g/mol
LogP0.39
Rot. Bonds4

About CID 166530547

CID 166530547 (PubChem CID 166530547) has the molecular formula C4H13NO3P2 and a molecular weight of 185.10 g/mol.

Molecular Properties

Compound NameCID 166530547
PubChem CID166530547
Molecular FormulaC4H13NO3P2
Molecular Weight185.10 g/mol
Exact Mass185.04
IUPAC Name—
SMILESNP.O=C(O)CCCOP
InChIInChI=1S/C4H9O3P.H4NP/c5-4(6)2-1-3-7-8;1-2/h1-3,8H2,(H,5,6);1-2H2
InChIKeyITIYJELSOGNWBE-UHFFFAOYSA-N
XLogP0.39
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.10
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-aminooxybutanoic acid;hydrochloride
CID 71361272
bis(ethane-1,2-diamine);hexanedioic acid
CID 88762987
4-[2-(2-aminoacetyl)oxyacetyl]oxybutanoic acid
CID 126736357
butanedioic acid;ethane-1,2-diamine;pentanedioic acid
CID 158203202
4-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoic acid
CID 175454355
4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid
CID 75202538
8-(3-carboxypropoxy)octanoic acid
CID 154155651
5-aminooxypentanoic acid
CID 14989418
hydrazine;pentanedioic acid;dihydrate
CID 172730564
4-prop-2-ynoyloxybutanoic acid
CID 138460140
6-[4-[6-[4-[6-[4-[6-[4-[6-[4-[6-[4-(5-carboxypentanoyloxy)butoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoic acid
CID 102514507
19-aminooxynonadecanoic acid
CID 145081852

Frequently Asked Questions

What is the IUPAC name of CID 166530547?
The IUPAC name of CID 166530547 (CID 166530547) is not available.
What is the SMILES notation for CID 166530547?
The canonical SMILES for CID 166530547 is NP.O=C(O)CCCOP.
What is the InChIKey of CID 166530547?
The InChIKey is ITIYJELSOGNWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O3P.H4NP/c5-4(6)2-1-3-7-8;1-2/h1-3,8H2,(H,5,6);1-2H2.
What are the key properties of CID 166530547?
CID 166530547 has a molecular weight of 185.10 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166530547 is sourced from PubChem (CID 166530547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).