3-aminopropanoic acid;propanoic acid;prop-1-ene

C9H19NO4 — CID 88933122

IUPAC3-aminopropanoic acid;propanoic acid;prop-1-ene
SMILESC=CC.CCC(=O)O.NCCC(=O)O
InChIInChI=1S/C3H7NO2.C3H6O2.C3H6/c4-2-1-3(5)6;1-2-3(4)5;1-3-2/h1-2,4H2,(H,5,6);2H2,1H3,(H,4,5);3H,1H2,2H3
InChIKeyCOOMJWPQOMHARR-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.09
Rot. Bonds3

About 3-aminopropanoic acid;propanoic acid;prop-1-ene

3-aminopropanoic acid;propanoic acid;prop-1-ene (PubChem CID 88933122) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 3-aminopropanoic acid;propanoic acid;prop-1-ene.

Molecular Properties

Compound Name3-aminopropanoic acid;propanoic acid;prop-1-ene
PubChem CID88933122
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name3-aminopropanoic acid;propanoic acid;prop-1-ene
SMILESC=CC.CCC(=O)O.NCCC(=O)O
InChIInChI=1S/C3H7NO2.C3H6O2.C3H6/c4-2-1-3(5)6;1-2-3(4)5;1-3-2/h1-2,4H2,(H,5,6);2H2,1H3,(H,4,5);3H,1H2,2H3
InChIKeyCOOMJWPQOMHARR-UHFFFAOYSA-N
XLogP1.09
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(15N)azanyl(113C)propanoic acid
CID 11366951
ethane-1,2-diamine;propanoic acid
CID 87882267
ethane-1,2-diamine;propanoic acid
CID 87109633
buta-1,3-diene;propanoic acid
CID 175603482
3-aminopropanoic acid;methyl propanoate
CID 158639053
acetic acid;bis(ethane-1,2-diamine);propanoic acid
CID 173315141
ethanamine;methane;propanoic acid
CID 159582357
ethene;propanoic acid
CID 158726825
butane-1,4-diamine;propanoic acid;hydrofluoride
CID 174574728
3-aminopropanoic acid;nitrous acid
CID 25232620
2-hydroxyacetic acid;tris(prop-1-ene)
CID 159374774
2-hydroxyacetic acid;prop-1-ene
CID 19035670

Frequently Asked Questions

What is the IUPAC name of 3-aminopropanoic acid;propanoic acid;prop-1-ene?
The IUPAC name of 3-aminopropanoic acid;propanoic acid;prop-1-ene (CID 88933122) is 3-aminopropanoic acid;propanoic acid;prop-1-ene.
What is the SMILES notation for 3-aminopropanoic acid;propanoic acid;prop-1-ene?
The canonical SMILES for 3-aminopropanoic acid;propanoic acid;prop-1-ene is C=CC.CCC(=O)O.NCCC(=O)O.
What is the InChIKey of 3-aminopropanoic acid;propanoic acid;prop-1-ene?
The InChIKey is COOMJWPQOMHARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.C3H6O2.C3H6/c4-2-1-3(5)6;1-2-3(4)5;1-3-2/h1-2,4H2,(H,5,6);2H2,1H3,(H,4,5);3H,1H2,2H3.
What are the key properties of 3-aminopropanoic acid;propanoic acid;prop-1-ene?
3-aminopropanoic acid;propanoic acid;prop-1-ene has a molecular weight of 205.25 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropanoic acid;propanoic acid;prop-1-ene is sourced from PubChem (CID 88933122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).