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

C12H20N2O3 — CID 43442341

IUPAC2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetic acid
SMILESCCN(C(=O)CN(C)CC(=O)O)C1=CCCC1
InChIInChI=1S/C12H20N2O3/c1-3-14(10-6-4-5-7-10)11(15)8-13(2)9-12(16)17/h6H,3-5,7-9H2,1-2H3,(H,16,17)
InChIKeyFBLRCMSIRKTVSA-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.92
Rot. Bonds6

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

2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetic acid (PubChem CID 43442341) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetic acid
PubChem CID43442341
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetic acid
SMILESCCN(C(=O)CN(C)CC(=O)O)C1=CCCC1
InChIInChI=1S/C12H20N2O3/c1-3-14(10-6-4-5-7-10)11(15)8-13(2)9-12(16)17/h6H,3-5,7-9H2,1-2H3,(H,16,17)
InChIKeyFBLRCMSIRKTVSA-UHFFFAOYSA-N
XLogP0.92
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[Cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258853
2-[[2-[Cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79262231
N-(cyclopenten-1-yl)-N-ethyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide
CID 103864828
N-(cyclopenten-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide
CID 103865000
N-(cyclopenten-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide
CID 107485088
N-(cyclopenten-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 107485411
2-(3-Amino-6-butyl-2-oxo-1-pyridinyl)acetic acid
CID 18469002
2-[Acetyl(cyclohexen-1-yl)amino]acetic acid
CID 139844911
2-[[2-[Cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442385
2-[[2-[Cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442514
2-[[2-[Cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442661
2-[[2-[Cyclopenten-1-yl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 43465720

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetic acid (CID 43442341) is 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetic acid is CCN(C(=O)CN(C)CC(=O)O)C1=CCCC1.
What is the InChIKey of 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetic acid?
The InChIKey is FBLRCMSIRKTVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-3-14(10-6-4-5-7-10)11(15)8-13(2)9-12(16)17/h6H,3-5,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetic acid?
2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetic acid has a molecular weight of 240.30 g/mol, XLogP of 0.92, 6 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(ethyl)amino]-2-oxoethyl]-methylamino]acetic acid is sourced from PubChem (CID 43442341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).