2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid

C13H22N2O4 — CID 61071861

IUPAC2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCNC(=O)CNC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H22N2O4/c1-2-14-11(17)9-15-10(16)7-13(8-12(18)19)5-3-4-6-13/h2-9H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyIWMWVYGJEQTNOC-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.66
Rot. Bonds7

About 2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 61071861) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID61071861
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCNC(=O)CNC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H22N2O4/c1-2-14-11(17)9-15-10(16)7-13(8-12(18)19)5-3-4-6-13/h2-9H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyIWMWVYGJEQTNOC-UHFFFAOYSA-N
XLogP0.66
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid with MolForge

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Related Compounds

2-[1-[2-[[2-[4-(diethylamino)butylamino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 143157350
2-[[2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]acetyl]amino]acetic acid
CID 81171912
2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60941419
2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 65108169
ethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid
CID 143530710
2-[1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclohexyl]acetic acid
CID 43235012
2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexyl]acetic acid
CID 43235051
2-[1-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 115696833
2-[1-[2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106275578
2-[1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071499
2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60919907
2-[1-[2-[(2,3-dihydroxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 66184848

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 61071861) is 2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid is CCNC(=O)CNC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is IWMWVYGJEQTNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-2-14-11(17)9-15-10(16)7-13(8-12(18)19)5-3-4-6-13/h2-9H2,1H3,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61071861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).