3-aminopropanoic acid;nitrous acid

C3H8N2O4 — CID 25232620

IUPAC3-aminopropanoic acid;nitrous acid
SMILESNCCC(=O)O.O=NO
InChIInChI=1S/C3H7NO2.HNO2/c4-2-1-3(5)6;2-1-3/h1-2,4H2,(H,5,6);(H,2,3)
InChIKeyKEXDAUWUTFPUKG-UHFFFAOYSA-N
MW136.11 g/mol
LogP-0.44
Rot. Bonds2

About 3-aminopropanoic acid;nitrous acid

3-aminopropanoic acid;nitrous acid (PubChem CID 25232620) has the molecular formula C3H8N2O4 and a molecular weight of 136.11 g/mol. Its IUPAC name is 3-aminopropanoic acid;nitrous acid.

Molecular Properties

Compound Name3-aminopropanoic acid;nitrous acid
PubChem CID25232620
Molecular FormulaC3H8N2O4
Molecular Weight136.11 g/mol
Exact Mass136.05
IUPAC Name3-aminopropanoic acid;nitrous acid
SMILESNCCC(=O)O.O=NO
InChIInChI=1S/C3H7NO2.HNO2/c4-2-1-3(5)6;2-1-3/h1-2,4H2,(H,5,6);(H,2,3)
InChIKeyKEXDAUWUTFPUKG-UHFFFAOYSA-N
XLogP-0.44
TPSA112.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(15N)azanyl(113C)propanoic acid
CID 11366951
bis(3-aminopropanoic acid);pyrazine
CID 122691194
6-aminohexanoic acid;3-aminopropanoic acid
CID 87186200
bis(butanedioic acid);ethane-1,2-diamine;zinc
CID 173009719
CID 173009716
CID 173009716
azane;bis(butanedioic acid);ethane-1,2-diamine
CID 173216605
bis(ethane-1,2-diamine);hexanedioic acid
CID 88762987
(2S)-2-aminobutanedioic acid;3-aminopropanoic acid
CID 89158281
bis(3-aminopropanoic acid);azanide;bis(butanedioic acid);tris(dichloroplatinum(2+));bis(pentanedioic acid)
CID 159935157
3-aminopropanoic acid;propanoic acid;prop-1-ene
CID 88933122
4-aminobutanoic acid;dihydrochloride
CID 87111723
butanedioic acid;ethane-1,2-diamine;pentanedioic acid
CID 158203202

Frequently Asked Questions

What is the IUPAC name of 3-aminopropanoic acid;nitrous acid?
The IUPAC name of 3-aminopropanoic acid;nitrous acid (CID 25232620) is 3-aminopropanoic acid;nitrous acid.
What is the SMILES notation for 3-aminopropanoic acid;nitrous acid?
The canonical SMILES for 3-aminopropanoic acid;nitrous acid is NCCC(=O)O.O=NO.
What is the InChIKey of 3-aminopropanoic acid;nitrous acid?
The InChIKey is KEXDAUWUTFPUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.HNO2/c4-2-1-3(5)6;2-1-3/h1-2,4H2,(H,5,6);(H,2,3).
What are the key properties of 3-aminopropanoic acid;nitrous acid?
3-aminopropanoic acid;nitrous acid has a molecular weight of 136.11 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropanoic acid;nitrous acid is sourced from PubChem (CID 25232620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).