2-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]cyclopentane-1-carboxylic acid

C13H24N2O3 — CID 103978708

IUPAC2-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)N(C)CCNC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-9(2)15(3)8-7-14-12(16)10-5-4-6-11(10)13(17)18/h9-11H,4-8H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyBXEFYOCWPVJCST-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.94
Rot. Bonds6

About 2-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]cyclopentane-1-carboxylic acid

2-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978708) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978708
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)N(C)CCNC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-9(2)15(3)8-7-14-12(16)10-5-4-6-11(10)13(17)18/h9-11H,4-8H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyBXEFYOCWPVJCST-UHFFFAOYSA-N
XLogP0.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]cyclopentane-1-carboxylic acid (CID 103978708) is 2-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]cyclopentane-1-carboxylic acid is CC(C)N(C)CCNC(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is BXEFYOCWPVJCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)15(3)8-7-14-12(16)10-5-4-6-11(10)13(17)18/h9-11H,4-8H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 2-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]cyclopentane-1-carboxylic acid?
2-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).