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

C11H18N2O3 — CID 43466773

IUPAC2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESCC(NCC(=O)N(C)C1=CCCC1)C(=O)O
InChIInChI=1S/C11H18N2O3/c1-8(11(15)16)12-7-10(14)13(2)9-5-3-4-6-9/h5,8,12H,3-4,6-7H2,1-2H3,(H,15,16)
InChIKeyQYGSQXWOBMQJMA-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.58
Rot. Bonds5

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

2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]propanoic acid (PubChem CID 43466773) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]propanoic acid
PubChem CID43466773
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESCC(NCC(=O)N(C)C1=CCCC1)C(=O)O
InChIInChI=1S/C11H18N2O3/c1-8(11(15)16)12-7-10(14)13(2)9-5-3-4-6-9/h5,8,12H,3-4,6-7H2,1-2H3,(H,15,16)
InChIKeyQYGSQXWOBMQJMA-UHFFFAOYSA-N
XLogP0.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]propanoic acid (CID 43466773) is 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]propanoic acid is CC(NCC(=O)N(C)C1=CCCC1)C(=O)O.
What is the InChIKey of 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is QYGSQXWOBMQJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-8(11(15)16)12-7-10(14)13(2)9-5-3-4-6-9/h5,8,12H,3-4,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]propanoic acid?
2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 226.28 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 43466773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).