1-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid

C13H23N3O4 — CID 16787443

IUPAC1-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCCN(CC)C(=O)CNC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H23N3O4/c1-3-16(4-2)10(17)9-14-12(20)15-13(11(18)19)7-5-6-8-13/h3-9H2,1-2H3,(H,18,19)(H2,14,15,20)
InChIKeyBCSCAIRSMARJQB-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.55
Rot. Bonds6

About 1-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid

1-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 16787443) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID16787443
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name1-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCCN(CC)C(=O)CNC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H23N3O4/c1-3-16(4-2)10(17)9-14-12(20)15-13(11(18)19)7-5-6-8-13/h3-9H2,1-2H3,(H,18,19)(H2,14,15,20)
InChIKeyBCSCAIRSMARJQB-UHFFFAOYSA-N
XLogP0.55
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 62635853
1-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cycloheptane-1-carboxylic acid
CID 61199319
1-(2-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 62103455
1-[3-(diethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61191866
1-[[ethyl(propyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61195465
1-(prop-2-ynylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 24699063
1-(hexylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 29006531
1-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 103463181
1-(benzylcarbamoylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide
CID 39948049
1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 29006529
1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-3-methylcyclohexane-1-carboxylic acid
CID 61295025
1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 114943563

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid (CID 16787443) is 1-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid is CCN(CC)C(=O)CNC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is BCSCAIRSMARJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-3-16(4-2)10(17)9-14-12(20)15-13(11(18)19)7-5-6-8-13/h3-9H2,1-2H3,(H,18,19)(H2,14,15,20).
What are the key properties of 1-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid?
1-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 16787443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).