CID 172913435

C5H11NO4 — CID 172913435

IUPAC—
SMILESO=C(O)CCOCCO.[NH]
InChIInChI=1S/C5H10O4.HN/c6-2-4-9-3-1-5(7)8;/h6H,1-4H2,(H,7,8);1H
InChIKeyZFGZXBOOKLIYDS-UHFFFAOYSA-N
MW149.15 g/mol
LogP-0.80
Rot. Bonds5

About CID 172913435

CID 172913435 (PubChem CID 172913435) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol.

Molecular Properties

Compound NameCID 172913435
PubChem CID172913435
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Name—
SMILESO=C(O)CCOCCO.[NH]
InChIInChI=1S/C5H10O4.HN/c6-2-4-9-3-1-5(7)8;/h6H,1-4H2,(H,7,8);1H
InChIKeyZFGZXBOOKLIYDS-UHFFFAOYSA-N
XLogP-0.80
TPSA98.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of CID 172913435?
The IUPAC name of CID 172913435 (CID 172913435) is not available.
What is the SMILES notation for CID 172913435?
The canonical SMILES for CID 172913435 is O=C(O)CCOCCO.[NH].
What is the InChIKey of CID 172913435?
The InChIKey is ZFGZXBOOKLIYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4.HN/c6-2-4-9-3-1-5(7)8;/h6H,1-4H2,(H,7,8);1H.
What are the key properties of CID 172913435?
CID 172913435 has a molecular weight of 149.15 g/mol, XLogP of -0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172913435 is sourced from PubChem (CID 172913435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).