2-[prop-2-enyl(2-pyrrolidin-1-ylethyl)amino]acetic acid

C11H20N2O2 — CID 79275387

IUPAC2-[prop-2-enyl(2-pyrrolidin-1-ylethyl)amino]acetic acid
SMILESC=CCN(CCN1CCCC1)CC(=O)O
InChIInChI=1S/C11H20N2O2/c1-2-5-13(10-11(14)15)9-8-12-6-3-4-7-12/h2H,1,3-10H2,(H,14,15)
InChIKeyDNHNSKZYEBUDGX-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.65
Rot. Bonds7

About 2-[prop-2-enyl(2-pyrrolidin-1-ylethyl)amino]acetic acid

2-[prop-2-enyl(2-pyrrolidin-1-ylethyl)amino]acetic acid (PubChem CID 79275387) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[prop-2-enyl(2-pyrrolidin-1-ylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[prop-2-enyl(2-pyrrolidin-1-ylethyl)amino]acetic acid
PubChem CID79275387
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-[prop-2-enyl(2-pyrrolidin-1-ylethyl)amino]acetic acid
SMILESC=CCN(CCN1CCCC1)CC(=O)O
InChIInChI=1S/C11H20N2O2/c1-2-5-13(10-11(14)15)9-8-12-6-3-4-7-12/h2H,1,3-10H2,(H,14,15)
InChIKeyDNHNSKZYEBUDGX-UHFFFAOYSA-N
XLogP0.65
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(azepan-1-yl)-2-oxoethyl]-prop-2-enylamino]propanoic acid
CID 82327043
2-[butyl(prop-2-enyl)amino]acetic acid
CID 79277573
2-[4,7,10-tris[2-[bis(carboxymethyl)amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 118005296
N-prop-2-enyl-N-[2-(4-propylpiperazin-1-yl)ethyl]prop-2-en-1-amine
CID 89280144
2-[2-[4-[2-[bis(carboxymethyl)amino]ethyl]-7-[2-[carboxymethyl(methyl)amino]ethyl]-1,4,7-triazonan-1-yl]ethyl-methylamino]acetic acid
CID 122492628
2-[[3-oxo-3-(propan-2-ylamino)propyl]-prop-2-enylamino]acetic acid
CID 79277550
2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetic acid
CID 60840141
3-[bis(prop-2-enyl)amino]propanoic acid;piperidine-1-carboxamide
CID 68545523
2-[2-propan-2-yloxyethyl(prop-2-enyl)amino]acetic acid
CID 79277607
2-[2-[carboxymethyl(2-oxoethyl)amino]ethyl-(2-oxoethyl)amino]acetic acid
CID 57165525
2-[7-[2-[carboxymethyl(ethyl)amino]ethyl]-4-ethyl-1,4,7-triazecan-1-yl]acetic acid
CID 169192584
2-[2-propan-2-ylsulfonylethyl(prop-2-enyl)amino]acetic acid
CID 106727614

Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-enyl(2-pyrrolidin-1-ylethyl)amino]acetic acid?
The IUPAC name of 2-[prop-2-enyl(2-pyrrolidin-1-ylethyl)amino]acetic acid (CID 79275387) is 2-[prop-2-enyl(2-pyrrolidin-1-ylethyl)amino]acetic acid.
What is the SMILES notation for 2-[prop-2-enyl(2-pyrrolidin-1-ylethyl)amino]acetic acid?
The canonical SMILES for 2-[prop-2-enyl(2-pyrrolidin-1-ylethyl)amino]acetic acid is C=CCN(CCN1CCCC1)CC(=O)O.
What is the InChIKey of 2-[prop-2-enyl(2-pyrrolidin-1-ylethyl)amino]acetic acid?
The InChIKey is DNHNSKZYEBUDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-5-13(10-11(14)15)9-8-12-6-3-4-7-12/h2H,1,3-10H2,(H,14,15).
What are the key properties of 2-[prop-2-enyl(2-pyrrolidin-1-ylethyl)amino]acetic acid?
2-[prop-2-enyl(2-pyrrolidin-1-ylethyl)amino]acetic acid has a molecular weight of 212.29 g/mol, XLogP of 0.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl(2-pyrrolidin-1-ylethyl)amino]acetic acid is sourced from PubChem (CID 79275387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).