1-methyl-2-(2-methylbutylcarbamoylamino)cyclopentane-1-carboxylic acid

C13H24N2O3 — CID 82765071

IUPAC1-methyl-2-(2-methylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCC(C)CNC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-9(2)8-14-12(18)15-10-6-5-7-13(10,3)11(16)17/h9-10H,4-8H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyZZYHAAQOGXATHJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.98
Rot. Bonds5

About 1-methyl-2-(2-methylbutylcarbamoylamino)cyclopentane-1-carboxylic acid

1-methyl-2-(2-methylbutylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 82765071) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-methyl-2-(2-methylbutylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-(2-methylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID82765071
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-methyl-2-(2-methylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCC(C)CNC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-9(2)8-14-12(18)15-10-6-5-7-13(10,3)11(16)17/h9-10H,4-8H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyZZYHAAQOGXATHJ-UHFFFAOYSA-N
XLogP1.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxypropylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 102699709
2-(2-ethylhexylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 107817457
2-(2-acetamidoethylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762512
1-methyl-2-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106191575
2-[[butan-2-yl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762437
2-[(3-amino-3-oxopropyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82762583
2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82764534
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 105419635
2-(1-methoxybutan-2-ylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82764156
2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763720
1-methyl-2-(pent-4-ynylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106222835
2-[2-(ethylsulfamoyl)ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 106341128

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylbutylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-(2-methylbutylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 82765071) is 1-methyl-2-(2-methylbutylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-(2-methylbutylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-(2-methylbutylcarbamoylamino)cyclopentane-1-carboxylic acid is CCC(C)CNC(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 1-methyl-2-(2-methylbutylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is ZZYHAAQOGXATHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-9(2)8-14-12(18)15-10-6-5-7-13(10,3)11(16)17/h9-10H,4-8H2,1-3H3,(H,16,17)(H2,14,15,18).
What are the key properties of 1-methyl-2-(2-methylbutylcarbamoylamino)cyclopentane-1-carboxylic acid?
1-methyl-2-(2-methylbutylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylbutylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82765071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).