[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbenzoate

C19H24N2O4S — CID 7968747

IUPAC[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbenzoate
SMILESC[C@@H](OC(=O)c1ccccc1S[C@H](C)C(=O)NC1CC1)C(=O)NC1CC1
InChIInChI=1S/C19H24N2O4S/c1-11(17(22)20-13-7-8-13)25-19(24)15-5-3-4-6-16(15)26-12(2)18(23)21-14-9-10-14/h3-6,11-14H,7-10H2,1-2H3,(H,20,22)(H,21,23)/t11-,12-/m1/s1
InChIKeyFRGGOSBQHSOYRJ-VXGBXAGGSA-N
MW376.48 g/mol
LogP2.27
Rot. Bonds8

About [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbenzoate

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbenzoate (PubChem CID 7968747) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbenzoate.

Molecular Properties

Compound Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbenzoate
PubChem CID7968747
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbenzoate
SMILESC[C@@H](OC(=O)c1ccccc1S[C@H](C)C(=O)NC1CC1)C(=O)NC1CC1
InChIInChI=1S/C19H24N2O4S/c1-11(17(22)20-13-7-8-13)25-19(24)15-5-3-4-6-16(15)26-12(2)18(23)21-14-9-10-14/h3-6,11-14H,7-10H2,1-2H3,(H,20,22)(H,21,23)/t11-,12-/m1/s1
InChIKeyFRGGOSBQHSOYRJ-VXGBXAGGSA-N
XLogP2.27
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbenzoate with MolForge

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Related Compounds

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-ethylsulfanylbenzoate
CID 8658606
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 47004055
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 40730891
(2R)-N-cyclopropyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214634
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508641
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate
CID 3463336
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-ethylsulfonylbenzoate
CID 8857036
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate
CID 8765308
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 24530551
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-ethylsulfanylbenzoate
CID 8959484
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate
CID 41187115
bis[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] benzene-1,3-dicarboxylate
CID 9016814

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbenzoate?
The IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbenzoate (CID 7968747) is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbenzoate.
What is the SMILES notation for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbenzoate?
The canonical SMILES for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbenzoate is C[C@@H](OC(=O)c1ccccc1S[C@H](C)C(=O)NC1CC1)C(=O)NC1CC1.
What is the InChIKey of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbenzoate?
The InChIKey is FRGGOSBQHSOYRJ-VXGBXAGGSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-11(17(22)20-13-7-8-13)25-19(24)15-5-3-4-6-16(15)26-12(2)18(23)21-14-9-10-14/h3-6,11-14H,7-10H2,1-2H3,(H,20,22)(H,21,23)/t11-,12-/m1/s1.
What are the key properties of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbenzoate?
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbenzoate has a molecular weight of 376.48 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbenzoate is sourced from PubChem (CID 7968747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).