2-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid

C12H20N2O4 — CID 54868358

IUPAC2-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCN(CC)C(=O)C(C)NC(=O)C1CC1C(=O)O
InChIInChI=1S/C12H20N2O4/c1-4-14(5-2)11(16)7(3)13-10(15)8-6-9(8)12(17)18/h7-9H,4-6H2,1-3H3,(H,13,15)(H,17,18)
InChIKeyJZJASRWDGCITNI-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.08
Rot. Bonds6

About 2-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid

2-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 54868358) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID54868358
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCN(CC)C(=O)C(C)NC(=O)C1CC1C(=O)O
InChIInChI=1S/C12H20N2O4/c1-4-14(5-2)11(16)7(3)13-10(15)8-6-9(8)12(17)18/h7-9H,4-6H2,1-3H3,(H,13,15)(H,17,18)
InChIKeyJZJASRWDGCITNI-UHFFFAOYSA-N
XLogP0.08
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550244
5-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide
CID 102706894
5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102688026
trans-(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93311717
2-(3-methylpentan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 61463679
2-(4-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 83176642
2-(heptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60791589
3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 63044247
cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93344004
2-(1-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60942127
cis-(1S,2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114092791
2-(1-cyclopropylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60790933

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid (CID 54868358) is 2-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid is CCN(CC)C(=O)C(C)NC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is JZJASRWDGCITNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-4-14(5-2)11(16)7(3)13-10(15)8-6-9(8)12(17)18/h7-9H,4-6H2,1-3H3,(H,13,15)(H,17,18).
What are the key properties of 2-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 54868358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).