CID 172719967

C5H11NNaO3 — CID 172719967

IUPAC—
SMILESO=C(O)CCNCCO.[Na]
InChIInChI=1S/C5H11NO3.Na/c7-4-3-6-2-1-5(8)9;/h6-7H,1-4H2,(H,8,9);
InChIKeyGJIDFMPVXKLPAB-UHFFFAOYSA-N
MW156.14 g/mol
LogP-1.34
Rot. Bonds5

About CID 172719967

CID 172719967 (PubChem CID 172719967) has the molecular formula C5H11NNaO3 and a molecular weight of 156.14 g/mol.

Molecular Properties

Compound NameCID 172719967
PubChem CID172719967
Molecular FormulaC5H11NNaO3
Molecular Weight156.14 g/mol
Exact Mass156.06
IUPAC Name—
SMILESO=C(O)CCNCCO.[Na]
InChIInChI=1S/C5H11NO3.Na/c7-4-3-6-2-1-5(8)9;/h6-7H,1-4H2,(H,8,9);
InChIKeyGJIDFMPVXKLPAB-UHFFFAOYSA-N
XLogP-1.34
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 22056559
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2-(2-aminoethylamino)ethanol;butanoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 172719967?
The IUPAC name of CID 172719967 (CID 172719967) is not available.
What is the SMILES notation for CID 172719967?
The canonical SMILES for CID 172719967 is O=C(O)CCNCCO.[Na].
What is the InChIKey of CID 172719967?
The InChIKey is GJIDFMPVXKLPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3.Na/c7-4-3-6-2-1-5(8)9;/h6-7H,1-4H2,(H,8,9);.
What are the key properties of CID 172719967?
CID 172719967 has a molecular weight of 156.14 g/mol, XLogP of -1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172719967 is sourced from PubChem (CID 172719967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).