2-[4-(dimethylamino)butan-2-ylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid

C15H28N2O3 — CID 114511694

IUPAC2-[4-(dimethylamino)butan-2-ylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NC(C)CCN(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-5-11-8-12(13(9-11)15(19)20)14(18)16-10(2)6-7-17(3)4/h10-13H,5-9H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyPPPRNSBVXFSMRD-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.58
Rot. Bonds7

About 2-[4-(dimethylamino)butan-2-ylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid

2-[4-(dimethylamino)butan-2-ylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid (PubChem CID 114511694) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[4-(dimethylamino)butan-2-ylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(dimethylamino)butan-2-ylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid
PubChem CID114511694
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[4-(dimethylamino)butan-2-ylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NC(C)CCN(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-5-11-8-12(13(9-11)15(19)20)14(18)16-10(2)6-7-17(3)4/h10-13H,5-9H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyPPPRNSBVXFSMRD-UHFFFAOYSA-N
XLogP1.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-4-ethyl-2-(pent-4-en-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114092876
4-ethyl-2-[(1-hydroxy-4-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 106348503
5-amino-N-[4-(dimethylamino)butan-2-yl]-2-methylcyclohexane-1-carboxamide
CID 62782765
2-(4-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 83176642
4-ethyl-2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511550
2-(heptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60791589
4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511327
N-[4-(dimethylamino)butan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63714179
4-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511535
2-(6-methylheptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60790622
cis-(1R,2S)-4-ethyl-2-(4-hydroxypentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 106120354
4-ethyl-2-[1-(1H-imidazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114512136

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)butan-2-ylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[4-(dimethylamino)butan-2-ylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid (CID 114511694) is 2-[4-(dimethylamino)butan-2-ylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(dimethylamino)butan-2-ylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[4-(dimethylamino)butan-2-ylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)NC(C)CCN(C)C)C1.
What is the InChIKey of 2-[4-(dimethylamino)butan-2-ylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The InChIKey is PPPRNSBVXFSMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-11-8-12(13(9-11)15(19)20)14(18)16-10(2)6-7-17(3)4/h10-13H,5-9H2,1-4H3,(H,16,18)(H,19,20).
What are the key properties of 2-[4-(dimethylamino)butan-2-ylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
2-[4-(dimethylamino)butan-2-ylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)butan-2-ylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114511694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).