2-(2-methoxypropylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid

C12H22N2O4 — CID 102699709

IUPAC2-(2-methoxypropylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
SMILESCOC(C)CNC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-8(18-3)7-13-11(17)14-9-5-4-6-12(9,2)10(15)16/h8-9H,4-7H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyBCTRIYSYLZTZTF-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.96
Rot. Bonds5

About 2-(2-methoxypropylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid

2-(2-methoxypropylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid (PubChem CID 102699709) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(2-methoxypropylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxypropylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
PubChem CID102699709
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-(2-methoxypropylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
SMILESCOC(C)CNC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-8(18-3)7-13-11(17)14-9-5-4-6-12(9,2)10(15)16/h8-9H,4-7H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyBCTRIYSYLZTZTF-UHFFFAOYSA-N
XLogP0.96
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-(2-methylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82765071
2-(2-acetamidoethylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762512
2-(2-ethylhexylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 107817457
1-methyl-2-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106191575
2-[(3-amino-3-oxopropyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82762583
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-[ethyl(methyl)amino]ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82764534
2-[(2-amino-3-methoxypropanoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762630
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(2-methoxypropylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid (CID 102699709) is 2-(2-methoxypropylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methoxypropylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(2-methoxypropylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid is COC(C)CNC(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 2-(2-methoxypropylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is BCTRIYSYLZTZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-8(18-3)7-13-11(17)14-9-5-4-6-12(9,2)10(15)16/h8-9H,4-7H2,1-3H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-(2-methoxypropylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid?
2-(2-methoxypropylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 102699709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).