2-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid

C15H28N2O3 — CID 103187928

IUPAC2-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCCN(C(=O)C1CC(C)CC1C(=O)O)C(C)CN(C)C
InChIInChI=1S/C15H28N2O3/c1-6-17(11(3)9-16(4)5)14(18)12-7-10(2)8-13(12)15(19)20/h10-13H,6-9H2,1-5H3,(H,19,20)
InChIKeyCDRJAXRUGYHMJL-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.53
Rot. Bonds6

About 2-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid

2-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 103187928) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID103187928
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCCN(C(=O)C1CC(C)CC1C(=O)O)C(C)CN(C)C
InChIInChI=1S/C15H28N2O3/c1-6-17(11(3)9-16(4)5)14(18)12-7-10(2)8-13(12)15(19)20/h10-13H,6-9H2,1-5H3,(H,19,20)
InChIKeyCDRJAXRUGYHMJL-UHFFFAOYSA-N
XLogP1.53
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid (CID 103187928) is 2-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid is CCN(C(=O)C1CC(C)CC1C(=O)O)C(C)CN(C)C.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is CDRJAXRUGYHMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-6-17(11(3)9-16(4)5)14(18)12-7-10(2)8-13(12)15(19)20/h10-13H,6-9H2,1-5H3,(H,19,20).
What are the key properties of 2-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
2-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 103187928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).