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

C11H18N2O3 — CID 43442661

IUPAC2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)CC(=O)N(C)C1=CCCC1
InChIInChI=1S/C11H18N2O3/c1-12(8-11(15)16)7-10(14)13(2)9-5-3-4-6-9/h5H,3-4,6-8H2,1-2H3,(H,15,16)
InChIKeyGQAXBXWITASGDO-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.53
Rot. Bonds5

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

2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid (PubChem CID 43442661) 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]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid
PubChem CID43442661
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)CC(=O)N(C)C1=CCCC1
InChIInChI=1S/C11H18N2O3/c1-12(8-11(15)16)7-10(14)13(2)9-5-3-4-6-9/h5H,3-4,6-8H2,1-2H3,(H,15,16)
InChIKeyGQAXBXWITASGDO-UHFFFAOYSA-N
XLogP0.53
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62010863
3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-ethylamino]propanoic acid
CID 61011314
2-bromo-N-(cyclopenten-1-yl)-N-methylacetamide
CID 81222619
N-(cyclopenten-1-yl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-methylacetamide
CID 115877302
N-(cyclopenten-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylacetamide
CID 115640803
N-(cyclopenten-1-yl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylacetamide
CID 79389356
2-bromo-N-(cyclohexen-1-yl)-N-methylacetamide
CID 101200162
methyl 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-cyclopentylamino]acetate
CID 80718028
N-(cyclohexen-1-yl)-N-methyl-2-phenylacetamide
CID 15816334
3-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 64917116
ethyl 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-prop-2-enylamino]acetate
CID 78979172
2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 43442375

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid (CID 43442661) is 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid is CN(CC(=O)O)CC(=O)N(C)C1=CCCC1.
What is the InChIKey of 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid?
The InChIKey is GQAXBXWITASGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-12(8-11(15)16)7-10(14)13(2)9-5-3-4-6-9/h5H,3-4,6-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid?
2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid has a molecular weight of 226.28 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 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]-methylamino]acetic acid is sourced from PubChem (CID 43442661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).