2-[1-[2-[(2-methoxy-2-oxoethyl)-propylamino]-2-oxoethyl]cyclopentyl]acetic acid

C15H25NO5 — CID 61070380

IUPAC2-[1-[2-[(2-methoxy-2-oxoethyl)-propylamino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCCN(CC(=O)OC)C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H25NO5/c1-3-8-16(11-14(20)21-2)12(17)9-15(10-13(18)19)6-4-5-7-15/h3-11H2,1-2H3,(H,18,19)
InChIKeyAJDORNAXAZCEFZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.82
Rot. Bonds8

About 2-[1-[2-[(2-methoxy-2-oxoethyl)-propylamino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[(2-methoxy-2-oxoethyl)-propylamino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 61070380) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[1-[2-[(2-methoxy-2-oxoethyl)-propylamino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(2-methoxy-2-oxoethyl)-propylamino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID61070380
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name2-[1-[2-[(2-methoxy-2-oxoethyl)-propylamino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCCN(CC(=O)OC)C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H25NO5/c1-3-8-16(11-14(20)21-2)12(17)9-15(10-13(18)19)6-4-5-7-15/h3-11H2,1-2H3,(H,18,19)
InChIKeyAJDORNAXAZCEFZ-UHFFFAOYSA-N
XLogP1.82
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-[ethyl(propyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43804933
2-[1-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 60662255
2-[1-[2-[butyl(ethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43235018
2-[1-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81162549
2-[1-(aminomethyl)cyclohexyl]-N,N-dipropylacetamide
CID 104677371
5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid
CID 62964741
2-[1-[2-[ethyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071684
2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 104677901
methyl 2-[(3-methylpyrrolidine-3-carbonyl)-propylamino]acetate
CID 63143757
2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid
CID 62956267
methyl 2-[3-aminobutanoyl(propyl)amino]acetate
CID 60946687
2-[1-[2-[cyclopropylmethyl(ethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 63956962

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(2-methoxy-2-oxoethyl)-propylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[(2-methoxy-2-oxoethyl)-propylamino]-2-oxoethyl]cyclopentyl]acetic acid (CID 61070380) is 2-[1-[2-[(2-methoxy-2-oxoethyl)-propylamino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(2-methoxy-2-oxoethyl)-propylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(2-methoxy-2-oxoethyl)-propylamino]-2-oxoethyl]cyclopentyl]acetic acid is CCCN(CC(=O)OC)C(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-[(2-methoxy-2-oxoethyl)-propylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is AJDORNAXAZCEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5/c1-3-8-16(11-14(20)21-2)12(17)9-15(10-13(18)19)6-4-5-7-15/h3-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[2-[(2-methoxy-2-oxoethyl)-propylamino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[(2-methoxy-2-oxoethyl)-propylamino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 299.37 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(2-methoxy-2-oxoethyl)-propylamino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61070380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).