2-[4-(cyclopropylamino)-4-oxobutanoyl]oxyethyl 4-(cyclopropylamino)-4-oxobutanoate

C16H24N2O6 — CID 59002737

IUPAC2-[4-(cyclopropylamino)-4-oxobutanoyl]oxyethyl 4-(cyclopropylamino)-4-oxobutanoate
SMILESO=C(CCC(=O)OCCOC(=O)CCC(=O)NC1CC1)NC1CC1
InChIInChI=1S/C16H24N2O6/c19-13(17-11-1-2-11)5-7-15(21)23-9-10-24-16(22)8-6-14(20)18-12-3-4-12/h11-12H,1-10H2,(H,17,19)(H,18,20)
InChIKeyRGOMMMVYSZZCAQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP0.19
Rot. Bonds11

About 2-[4-(cyclopropylamino)-4-oxobutanoyl]oxyethyl 4-(cyclopropylamino)-4-oxobutanoate

2-[4-(cyclopropylamino)-4-oxobutanoyl]oxyethyl 4-(cyclopropylamino)-4-oxobutanoate (PubChem CID 59002737) has the molecular formula C16H24N2O6 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[4-(cyclopropylamino)-4-oxobutanoyl]oxyethyl 4-(cyclopropylamino)-4-oxobutanoate.

Molecular Properties

Compound Name2-[4-(cyclopropylamino)-4-oxobutanoyl]oxyethyl 4-(cyclopropylamino)-4-oxobutanoate
PubChem CID59002737
Molecular FormulaC16H24N2O6
Molecular Weight340.38 g/mol
Exact Mass340.16
IUPAC Name2-[4-(cyclopropylamino)-4-oxobutanoyl]oxyethyl 4-(cyclopropylamino)-4-oxobutanoate
SMILESO=C(CCC(=O)OCCOC(=O)CCC(=O)NC1CC1)NC1CC1
InChIInChI=1S/C16H24N2O6/c19-13(17-11-1-2-11)5-7-15(21)23-9-10-24-16(22)8-6-14(20)18-12-3-4-12/h11-12H,1-10H2,(H,17,19)(H,18,20)
InChIKeyRGOMMMVYSZZCAQ-UHFFFAOYSA-N
XLogP0.19
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-dicyclopropylbutanediamide
CID 5225156
ethyl 4-[(4-carbamoylcyclohexyl)amino]-4-oxobutanoate
CID 60728078
3-phenylpropyl 4-(cyclohexylamino)-4-oxobutanoate
CID 4779106
cis-(1R,3S)-3-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid
CID 106320773
N,N'-dicyclopropyldecanediamide
CID 4668836
ethyl 4-[(1-cyclopropylpiperidin-4-yl)amino]-4-oxobutanoate
CID 60730732
ethyl 4-oxo-4-[(1-propan-2-ylpiperidin-4-yl)amino]butanoate
CID 60669009
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
tert-butyl 4-(cyclobutylamino)-4-oxobutanoate
CID 106707367
tert-butyl 4-[(4-ethylcyclohexyl)amino]-4-oxobutanoate
CID 106707162
ethyl 3-[[4-(cyclopropylamino)-4-oxobutyl]amino]propanoate
CID 79393885
tert-butyl 4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 106707567

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylamino)-4-oxobutanoyl]oxyethyl 4-(cyclopropylamino)-4-oxobutanoate?
The IUPAC name of 2-[4-(cyclopropylamino)-4-oxobutanoyl]oxyethyl 4-(cyclopropylamino)-4-oxobutanoate (CID 59002737) is 2-[4-(cyclopropylamino)-4-oxobutanoyl]oxyethyl 4-(cyclopropylamino)-4-oxobutanoate.
What is the SMILES notation for 2-[4-(cyclopropylamino)-4-oxobutanoyl]oxyethyl 4-(cyclopropylamino)-4-oxobutanoate?
The canonical SMILES for 2-[4-(cyclopropylamino)-4-oxobutanoyl]oxyethyl 4-(cyclopropylamino)-4-oxobutanoate is O=C(CCC(=O)OCCOC(=O)CCC(=O)NC1CC1)NC1CC1.
What is the InChIKey of 2-[4-(cyclopropylamino)-4-oxobutanoyl]oxyethyl 4-(cyclopropylamino)-4-oxobutanoate?
The InChIKey is RGOMMMVYSZZCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6/c19-13(17-11-1-2-11)5-7-15(21)23-9-10-24-16(22)8-6-14(20)18-12-3-4-12/h11-12H,1-10H2,(H,17,19)(H,18,20).
What are the key properties of 2-[4-(cyclopropylamino)-4-oxobutanoyl]oxyethyl 4-(cyclopropylamino)-4-oxobutanoate?
2-[4-(cyclopropylamino)-4-oxobutanoyl]oxyethyl 4-(cyclopropylamino)-4-oxobutanoate has a molecular weight of 340.38 g/mol, XLogP of 0.19, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylamino)-4-oxobutanoyl]oxyethyl 4-(cyclopropylamino)-4-oxobutanoate is sourced from PubChem (CID 59002737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).