methyl 3-[3-(cyclopropylamino)-3-oxopropyl]sulfanylbutanoate

C11H19NO3S — CID 66114616

IUPACmethyl 3-[3-(cyclopropylamino)-3-oxopropyl]sulfanylbutanoate
SMILESCOC(=O)CC(C)SCCC(=O)NC1CC1
InChIInChI=1S/C11H19NO3S/c1-8(7-11(14)15-2)16-6-5-10(13)12-9-3-4-9/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyGADMDFVRLQQVAB-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.34
Rot. Bonds7

About methyl 3-[3-(cyclopropylamino)-3-oxopropyl]sulfanylbutanoate

methyl 3-[3-(cyclopropylamino)-3-oxopropyl]sulfanylbutanoate (PubChem CID 66114616) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is methyl 3-[3-(cyclopropylamino)-3-oxopropyl]sulfanylbutanoate.

Molecular Properties

Compound Namemethyl 3-[3-(cyclopropylamino)-3-oxopropyl]sulfanylbutanoate
PubChem CID66114616
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Namemethyl 3-[3-(cyclopropylamino)-3-oxopropyl]sulfanylbutanoate
SMILESCOC(=O)CC(C)SCCC(=O)NC1CC1
InChIInChI=1S/C11H19NO3S/c1-8(7-11(14)15-2)16-6-5-10(13)12-9-3-4-9/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyGADMDFVRLQQVAB-UHFFFAOYSA-N
XLogP1.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[3-(cyclopropylamino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 55090982
N,N'-dicyclopropylbutanediamide
CID 5225156
methyl 3-(3-ethylsulfanylpropylsulfanyl)butanoate
CID 115659224
methyl 2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylpropanoate
CID 78842715
methyl 6-(cyclopentylamino)-6-oxohexanoate
CID 162372122
N-cyclopentyl-3-methylsulfanylpropanamide
CID 60636725
2-[4-(cyclopropylamino)-4-oxobutanoyl]oxyethyl 4-(cyclopropylamino)-4-oxobutanoate
CID 59002737
methyl 3-(oxan-4-ylsulfanyl)butanoate
CID 62996938
methyl 2-[cyclobutylcarbamoyl(propan-2-yl)amino]acetate
CID 116655081
N-cyclopropyl-3-(2-methylpropylamino)propanamide
CID 62626467
5-amino-N-cyclopropylhexanamide
CID 82848782
N-cyclopropyl-2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394773

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(cyclopropylamino)-3-oxopropyl]sulfanylbutanoate?
The IUPAC name of methyl 3-[3-(cyclopropylamino)-3-oxopropyl]sulfanylbutanoate (CID 66114616) is methyl 3-[3-(cyclopropylamino)-3-oxopropyl]sulfanylbutanoate.
What is the SMILES notation for methyl 3-[3-(cyclopropylamino)-3-oxopropyl]sulfanylbutanoate?
The canonical SMILES for methyl 3-[3-(cyclopropylamino)-3-oxopropyl]sulfanylbutanoate is COC(=O)CC(C)SCCC(=O)NC1CC1.
What is the InChIKey of methyl 3-[3-(cyclopropylamino)-3-oxopropyl]sulfanylbutanoate?
The InChIKey is GADMDFVRLQQVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-8(7-11(14)15-2)16-6-5-10(13)12-9-3-4-9/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of methyl 3-[3-(cyclopropylamino)-3-oxopropyl]sulfanylbutanoate?
methyl 3-[3-(cyclopropylamino)-3-oxopropyl]sulfanylbutanoate has a molecular weight of 245.34 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(cyclopropylamino)-3-oxopropyl]sulfanylbutanoate is sourced from PubChem (CID 66114616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).