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

C14H24N2O3 — CID 43631790

IUPAC2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)N(CC)C1=CCCC1)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-3-7-12(14(18)19)15-10-13(17)16(4-2)11-8-5-6-9-11/h8,12,15H,3-7,9-10H2,1-2H3,(H,18,19)
InChIKeyDGWNATPPCAJEBF-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.75
Rot. Bonds8

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

2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]pentanoic acid (PubChem CID 43631790) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]pentanoic acid
PubChem CID43631790
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)N(CC)C1=CCCC1)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-3-7-12(14(18)19)15-10-13(17)16(4-2)11-8-5-6-9-11/h8,12,15H,3-7,9-10H2,1-2H3,(H,18,19)
InChIKeyDGWNATPPCAJEBF-UHFFFAOYSA-N
XLogP1.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]pentanoic acid
CID 43631867
2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]propanoic acid
CID 55096747
N-(cyclopenten-1-yl)-N-ethyl-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 78989130
2-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid
CID 43631787
2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid
CID 61489470
N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide
CID 54911180
N-(cyclopenten-1-yl)-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide
CID 78967888
1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441126
N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide
CID 107407836
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 116653120
N-(cyclopenten-1-yl)-N-ethyl-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607289
N-(cyclohexen-1-yl)-N-ethyl-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide
CID 95338999

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]pentanoic acid (CID 43631790) is 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]pentanoic acid is CCCC(NCC(=O)N(CC)C1=CCCC1)C(=O)O.
What is the InChIKey of 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]pentanoic acid?
The InChIKey is DGWNATPPCAJEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-7-12(14(18)19)15-10-13(17)16(4-2)11-8-5-6-9-11/h8,12,15H,3-7,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]pentanoic acid?
2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]pentanoic acid has a molecular weight of 268.36 g/mol, XLogP of 1.75, 8 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(ethyl)amino]-2-oxoethyl]amino]pentanoic acid is sourced from PubChem (CID 43631790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).