1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C13H21NO5 — CID 61499207

IUPAC1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCOC(=O)C(C)NC(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C13H21NO5/c1-3-19-11(16)9(2)14-10(15)8-13(12(17)18)6-4-5-7-13/h9H,3-8H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyXANNCEKHUZWCEK-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.09
Rot. Bonds6

About 1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 61499207) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID61499207
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCOC(=O)C(C)NC(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C13H21NO5/c1-3-19-11(16)9(2)14-10(15)8-13(12(17)18)6-4-5-7-13/h9H,3-8H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyXANNCEKHUZWCEK-UHFFFAOYSA-N
XLogP1.09
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid
CID 43529300
1-[2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60941748
ethyl 2-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate
CID 103520334
1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 43396421
1-[2-(heptan-2-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43578366
1-[2-(hexan-3-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 62119087
1-[2-(octan-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 106019145
1-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 106344050
1-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 79254012
1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61498908
1-[2-(2-ethoxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 113477001
1-[2-(octan-4-ylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 106019129

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 61499207) is 1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is CCOC(=O)C(C)NC(=O)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is XANNCEKHUZWCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-3-19-11(16)9(2)14-10(15)8-13(12(17)18)6-4-5-7-13/h9H,3-8H2,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 271.31 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61499207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).