cis-(1S,2R)-2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid

C13H22N2O4 — CID 114092786

IUPACcis-(1S,2R)-2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCN(CC)C(=O)CNC(=O)[C@@H]1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-3-15(4-2)11(16)8-14-12(17)9-6-5-7-10(9)13(18)19/h9-10H,3-8H2,1-2H3,(H,14,17)(H,18,19)/t9-,10+/m1/s1
InChIKeyYYUFIJUVRBCFBW-ZJUUUORDSA-N
MW270.33 g/mol
LogP0.47
Rot. Bonds6

About cis-(1S,2R)-2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid

cis-(1S,2R)-2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114092786) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114092786
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Namecis-(1S,2R)-2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCN(CC)C(=O)CNC(=O)[C@@H]1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-3-15(4-2)11(16)8-14-12(17)9-6-5-7-10(9)13(18)19/h9-10H,3-8H2,1-2H3,(H,14,17)(H,18,19)/t9-,10+/m1/s1
InChIKeyYYUFIJUVRBCFBW-ZJUUUORDSA-N
XLogP0.47
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391307
N-[2-(diethylamino)-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 47027648
2-[(2-ethoxy-2-oxoethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 4193724
(3S,4S)-N-[2-(diethylamino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxamide
CID 114085030
cis-(1S,2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 114091717
2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 113361167
cis-(1S,2R)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114092685
cis-(1S,2R)-2-(2-acetamidoethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 42302869
2-(prop-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977753
(2R)-N-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxamide
CID 113266443
2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107214739
cis-(1R,3S)-3-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320008

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid (CID 114092786) is cis-(1S,2R)-2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid is CCN(CC)C(=O)CNC(=O)[C@@H]1CCC[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is YYUFIJUVRBCFBW-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-3-15(4-2)11(16)8-14-12(17)9-6-5-7-10(9)13(18)19/h9-10H,3-8H2,1-2H3,(H,14,17)(H,18,19)/t9-,10+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid?
cis-(1S,2R)-2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114092786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).