2-[1-(diethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid

C14H26N2O3 — CID 103978652

IUPAC2-[1-(diethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCN(CC)CC(C)NC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-16(5-2)9-10(3)15-13(17)11-7-6-8-12(11)14(18)19/h10-12H,4-9H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyWKIWDSHDMBGZPB-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.33
Rot. Bonds7

About 2-[1-(diethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid

2-[1-(diethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978652) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[1-(diethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(diethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978652
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[1-(diethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCN(CC)CC(C)NC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-16(5-2)9-10(3)15-13(17)11-7-6-8-12(11)14(18)19/h10-12H,4-9H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyWKIWDSHDMBGZPB-UHFFFAOYSA-N
XLogP1.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103979109
4-[1-(diethylamino)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784879
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107214513
2-(1-methoxypropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977801
N-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63715172
cis-(1S,2R)-2-[[(2S)-heptan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 40579347
2-(3-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978580
cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 724026
4-amino-N-[1-(diethylamino)propan-2-yl]oxolane-3-carboxamide
CID 66237288
2-(3-ethylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63841768
cis-(1R,3S)-3-[1-(diethylamino)propan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106319618
N-[1-(diethylamino)propan-2-yl]piperidine-2-carboxamide;dihydrochloride
CID 119860546

Frequently Asked Questions

What is the IUPAC name of 2-[1-(diethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[1-(diethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid (CID 103978652) is 2-[1-(diethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(diethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[1-(diethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid is CCN(CC)CC(C)NC(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[1-(diethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is WKIWDSHDMBGZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-16(5-2)9-10(3)15-13(17)11-7-6-8-12(11)14(18)19/h10-12H,4-9H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 2-[1-(diethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid?
2-[1-(diethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(diethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).