propan-2-yl 4-(cyclopropylamino)-4-oxobutanoate

C10H17NO3 — CID 4002093

IUPACpropan-2-yl 4-(cyclopropylamino)-4-oxobutanoate
SMILESCC(C)OC(=O)CCC(=O)NC1CC1
InChIInChI=1S/C10H17NO3/c1-7(2)14-10(13)6-5-9(12)11-8-3-4-8/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyXZCBANWTBPHDIN-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.00
Rot. Bonds5

About propan-2-yl 4-(cyclopropylamino)-4-oxobutanoate

propan-2-yl 4-(cyclopropylamino)-4-oxobutanoate (PubChem CID 4002093) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is propan-2-yl 4-(cyclopropylamino)-4-oxobutanoate.

Molecular Properties

Compound Namepropan-2-yl 4-(cyclopropylamino)-4-oxobutanoate
PubChem CID4002093
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namepropan-2-yl 4-(cyclopropylamino)-4-oxobutanoate
SMILESCC(C)OC(=O)CCC(=O)NC1CC1
InChIInChI=1S/C10H17NO3/c1-7(2)14-10(13)6-5-9(12)11-8-3-4-8/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyXZCBANWTBPHDIN-UHFFFAOYSA-N
XLogP1.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(cyclopropylamino)-4-oxobutanoate?
The IUPAC name of propan-2-yl 4-(cyclopropylamino)-4-oxobutanoate (CID 4002093) is propan-2-yl 4-(cyclopropylamino)-4-oxobutanoate.
What is the SMILES notation for propan-2-yl 4-(cyclopropylamino)-4-oxobutanoate?
The canonical SMILES for propan-2-yl 4-(cyclopropylamino)-4-oxobutanoate is CC(C)OC(=O)CCC(=O)NC1CC1.
What is the InChIKey of propan-2-yl 4-(cyclopropylamino)-4-oxobutanoate?
The InChIKey is XZCBANWTBPHDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(2)14-10(13)6-5-9(12)11-8-3-4-8/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of propan-2-yl 4-(cyclopropylamino)-4-oxobutanoate?
propan-2-yl 4-(cyclopropylamino)-4-oxobutanoate has a molecular weight of 199.25 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(cyclopropylamino)-4-oxobutanoate is sourced from PubChem (CID 4002093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).