3-(dimethylamino)propanoic acid;N-methylprop-2-en-1-amine

C9H20N2O2 — CID 87098202

IUPAC3-(dimethylamino)propanoic acid;N-methylprop-2-en-1-amine
SMILESC=CCNC.CN(C)CCC(=O)O
InChIInChI=1S/C5H11NO2.C4H9N/c1-6(2)4-3-5(7)8;1-3-4-5-2/h3-4H2,1-2H3,(H,7,8);3,5H,1,4H2,2H3
InChIKeyITIVFJNYRPLUTE-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.41
Rot. Bonds5

About 3-(dimethylamino)propanoic acid;N-methylprop-2-en-1-amine

3-(dimethylamino)propanoic acid;N-methylprop-2-en-1-amine (PubChem CID 87098202) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(dimethylamino)propanoic acid;N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(dimethylamino)propanoic acid;N-methylprop-2-en-1-amine
PubChem CID87098202
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name3-(dimethylamino)propanoic acid;N-methylprop-2-en-1-amine
SMILESC=CCNC.CN(C)CCC(=O)O
InChIInChI=1S/C5H11NO2.C4H9N/c1-6(2)4-3-5(7)8;1-3-4-5-2/h3-4H2,1-2H3,(H,7,8);3,5H,1,4H2,2H3
InChIKeyITIVFJNYRPLUTE-UHFFFAOYSA-N
XLogP0.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(Prop-2-en-1-yl)amino]propanoic acid
CID 14093037
3-[[(E)-but-2-enyl]amino]propanoic acid
CID 43466709
2-Methyl-3-(prop-2-enylamino)propanoic acid
CID 43538344
3-[Prop-2-enyl(propyl)amino]propanoic acid
CID 68545980
3-Aminopropanoic acid;3-(prop-2-enylamino)propanamide
CID 87493085
3-[3-(Prop-2-enylamino)propylamino]propanoic acid
CID 87700883
propanoic acid;N-prop-2-enylprop-2-en-1-amine
CID 87985553
3-(Dimethylamino)-3-(prop-2-enylamino)butanoic acid
CID 88169971
3-[2-(2-Aminopropylamino)propyl-prop-2-enylamino]propanoic acid
CID 88654556
3-[2-Aminopropyl(prop-2-enyl)amino]propanoic acid
CID 88654867
2-Carboxyethyl-dimethyl-[3-(3-oxoprop-2-enylamino)propyl]azanium
CID 134231203
acetic acid;N'-prop-2-enylpropane-1,3-diamine
CID 134364418

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propanoic acid;N-methylprop-2-en-1-amine?
The IUPAC name of 3-(dimethylamino)propanoic acid;N-methylprop-2-en-1-amine (CID 87098202) is 3-(dimethylamino)propanoic acid;N-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(dimethylamino)propanoic acid;N-methylprop-2-en-1-amine?
The canonical SMILES for 3-(dimethylamino)propanoic acid;N-methylprop-2-en-1-amine is C=CCNC.CN(C)CCC(=O)O.
What is the InChIKey of 3-(dimethylamino)propanoic acid;N-methylprop-2-en-1-amine?
The InChIKey is ITIVFJNYRPLUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C4H9N/c1-6(2)4-3-5(7)8;1-3-4-5-2/h3-4H2,1-2H3,(H,7,8);3,5H,1,4H2,2H3.
What are the key properties of 3-(dimethylamino)propanoic acid;N-methylprop-2-en-1-amine?
3-(dimethylamino)propanoic acid;N-methylprop-2-en-1-amine has a molecular weight of 188.27 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propanoic acid;N-methylprop-2-en-1-amine is sourced from PubChem (CID 87098202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).