3-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]propanoic acid

C12H20N2O3 — CID 43466617

IUPAC3-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESCCN(C(=O)CNCCC(=O)O)C1=CCCC1
InChIInChI=1S/C12H20N2O3/c1-2-14(10-5-3-4-6-10)11(15)9-13-8-7-12(16)17/h5,13H,2-4,6-9H2,1H3,(H,16,17)
InChIKeyMQINCOABHPOTTE-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.97
Rot. Bonds7

About 3-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]propanoic acid

3-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]propanoic acid (PubChem CID 43466617) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]propanoic acid
PubChem CID43466617
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESCCN(C(=O)CNCCC(=O)O)C1=CCCC1
InChIInChI=1S/C12H20N2O3/c1-2-14(10-5-3-4-6-10)11(15)9-13-8-7-12(16)17/h5,13H,2-4,6-9H2,1H3,(H,16,17)
InChIKeyMQINCOABHPOTTE-UHFFFAOYSA-N
XLogP0.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]propanoic acid (CID 43466617) is 3-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]propanoic acid is CCN(C(=O)CNCCC(=O)O)C1=CCCC1.
What is the InChIKey of 3-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is MQINCOABHPOTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-14(10-5-3-4-6-10)11(15)9-13-8-7-12(16)17/h5,13H,2-4,6-9H2,1H3,(H,16,17).
What are the key properties of 3-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]propanoic acid?
3-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 240.30 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 43466617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).