3-[2-aminopropyl(prop-2-enyl)amino]propanoic acid

C9H18N2O2 — CID 88654867

IUPAC3-[2-aminopropyl(prop-2-enyl)amino]propanoic acid
SMILESC=CCN(CCC(=O)O)CC(C)N
InChIInChI=1S/C9H18N2O2/c1-3-5-11(7-8(2)10)6-4-9(12)13/h3,8H,1,4-7,10H2,2H3,(H,12,13)
InChIKeyWOYZLJVPKIUELA-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.30
Rot. Bonds7

About 3-[2-aminopropyl(prop-2-enyl)amino]propanoic acid

3-[2-aminopropyl(prop-2-enyl)amino]propanoic acid (PubChem CID 88654867) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-[2-aminopropyl(prop-2-enyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-aminopropyl(prop-2-enyl)amino]propanoic acid
PubChem CID88654867
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-[2-aminopropyl(prop-2-enyl)amino]propanoic acid
SMILESC=CCN(CCC(=O)O)CC(C)N
InChIInChI=1S/C9H18N2O2/c1-3-5-11(7-8(2)10)6-4-9(12)13/h3,8H,1,4-7,10H2,2H3,(H,12,13)
InChIKeyWOYZLJVPKIUELA-UHFFFAOYSA-N
XLogP0.30
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.30
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

(2S)-2-(methylamino)-3-(prop-2-enylamino)propanoic acid
CID 59882209
(2S)-2-(methylamino)-3-[methyl(prop-2-enyl)amino]propanoic acid
CID 59882216
3-[Propan-2-yl(prop-2-enyl)amino]propanoic acid
CID 60839148
2-Amino-3-(prop-2-enylamino)propanoic acid
CID 64581240
2-Amino-3-(2,5-dihydropyrrol-1-yl)propanoic acid
CID 69404602
3-Amino-2-[1-aminoethyl(prop-2-enyl)amino]butanoic acid
CID 87059532
3-(dimethylamino)propanoic acid;N-methylprop-2-en-1-amine
CID 87098202
acetic acid;2-N-prop-2-enylpropane-1,2-diamine
CID 87207093
3-Aminopropanoic acid;2-(prop-2-enylamino)propanamide
CID 87492445
3-Amino-4-[bis(prop-2-enyl)amino]butanoic acid
CID 87569151
3-[3-(Prop-2-enylamino)propylamino]propanoic acid
CID 87700883
acetic acid;1-N-prop-2-enylpropane-1,2-diamine
CID 88108084

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminopropyl(prop-2-enyl)amino]propanoic acid?
The IUPAC name of 3-[2-aminopropyl(prop-2-enyl)amino]propanoic acid (CID 88654867) is 3-[2-aminopropyl(prop-2-enyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-aminopropyl(prop-2-enyl)amino]propanoic acid?
The canonical SMILES for 3-[2-aminopropyl(prop-2-enyl)amino]propanoic acid is C=CCN(CCC(=O)O)CC(C)N.
What is the InChIKey of 3-[2-aminopropyl(prop-2-enyl)amino]propanoic acid?
The InChIKey is WOYZLJVPKIUELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-5-11(7-8(2)10)6-4-9(12)13/h3,8H,1,4-7,10H2,2H3,(H,12,13).
What are the key properties of 3-[2-aminopropyl(prop-2-enyl)amino]propanoic acid?
3-[2-aminopropyl(prop-2-enyl)amino]propanoic acid has a molecular weight of 186.25 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminopropyl(prop-2-enyl)amino]propanoic acid is sourced from PubChem (CID 88654867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).