1-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]cyclobutane-1-carboxylic acid

C15H29N3O3 — CID 102995551

IUPAC1-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]cyclobutane-1-carboxylic acid
SMILESCCN(CC)CCCN(CC)C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C15H29N3O3/c1-4-17(5-2)11-8-12-18(6-3)14(21)16-15(13(19)20)9-7-10-15/h4-12H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyMKMGSHRYZFJGDH-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.76
Rot. Bonds9

About 1-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]cyclobutane-1-carboxylic acid

1-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 102995551) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]cyclobutane-1-carboxylic acid
PubChem CID102995551
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name1-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]cyclobutane-1-carboxylic acid
SMILESCCN(CC)CCCN(CC)C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C15H29N3O3/c1-4-17(5-2)11-8-12-18(6-3)14(21)16-15(13(19)20)9-7-10-15/h4-12H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyMKMGSHRYZFJGDH-UHFFFAOYSA-N
XLogP1.76
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]cyclobutane-1-carboxylic acid (CID 102995551) is 1-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]cyclobutane-1-carboxylic acid is CCN(CC)CCCN(CC)C(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is MKMGSHRYZFJGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-4-17(5-2)11-8-12-18(6-3)14(21)16-15(13(19)20)9-7-10-15/h4-12H2,1-3H3,(H,16,21)(H,19,20).
What are the key properties of 1-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]cyclobutane-1-carboxylic acid?
1-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 299.41 g/mol, XLogP of 1.76, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 102995551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).