2-[(3-amino-3-oxopropyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid

C11H19N3O4 — CID 82762583

IUPAC2-[(3-amino-3-oxopropyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)NCCC(N)=O
InChIInChI=1S/C11H19N3O4/c1-11(9(16)17)5-2-3-7(11)14-10(18)13-6-4-8(12)15/h7H,2-6H2,1H3,(H2,12,15)(H,16,17)(H2,13,14,18)
InChIKeyKJYJTYQLVMOCHS-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.20
Rot. Bonds5

About 2-[(3-amino-3-oxopropyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid

2-[(3-amino-3-oxopropyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82762583) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[(3-amino-3-oxopropyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-amino-3-oxopropyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82762583
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name2-[(3-amino-3-oxopropyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)NCCC(N)=O
InChIInChI=1S/C11H19N3O4/c1-11(9(16)17)5-2-3-7(11)14-10(18)13-6-4-8(12)15/h7H,2-6H2,1H3,(H2,12,15)(H,16,17)(H2,13,14,18)
InChIKeyKJYJTYQLVMOCHS-UHFFFAOYSA-N
XLogP-0.20
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-acetamidoethylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762512
1-methyl-2-(pent-4-ynylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106222835
2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82764534
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898
1-methyl-2-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106191575
2-[2-(ethylsulfamoyl)ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 106341128
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 105419635
1-methyl-2-(2-methylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82765071
1-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid
CID 82765950
2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763720
2-(2-methoxypropylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 102699709
2-[(3,3-dimethylcyclopentyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 114549013

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-3-oxopropyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-amino-3-oxopropyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid (CID 82762583) is 2-[(3-amino-3-oxopropyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-amino-3-oxopropyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-amino-3-oxopropyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)NCCC(N)=O.
What is the InChIKey of 2-[(3-amino-3-oxopropyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is KJYJTYQLVMOCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-11(9(16)17)5-2-3-7(11)14-10(18)13-6-4-8(12)15/h7H,2-6H2,1H3,(H2,12,15)(H,16,17)(H2,13,14,18).
What are the key properties of 2-[(3-amino-3-oxopropyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
2-[(3-amino-3-oxopropyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of -0.20, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-3-oxopropyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82762583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).