propyl (2R)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate

C10H19NO4S — CID 102379384

IUPACpropyl (2R)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate
SMILESCCCOC(=O)[C@@H](CCSC)NC(=O)OC
InChIInChI=1S/C10H19NO4S/c1-4-6-15-9(12)8(5-7-16-3)11-10(13)14-2/h8H,4-7H2,1-3H3,(H,11,13)/t8-/m1/s1
InChIKeyRPHXNKFTIQYJNW-MRVPVSSYSA-N
MW249.33 g/mol
LogP1.42
Rot. Bonds7

About propyl (2R)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate

propyl (2R)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate (PubChem CID 102379384) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is propyl (2R)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate.

Molecular Properties

Compound Namepropyl (2R)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate
PubChem CID102379384
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Namepropyl (2R)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate
SMILESCCCOC(=O)[C@@H](CCSC)NC(=O)OC
InChIInChI=1S/C10H19NO4S/c1-4-6-15-9(12)8(5-7-16-3)11-10(13)14-2/h8H,4-7H2,1-3H3,(H,11,13)/t8-/m1/s1
InChIKeyRPHXNKFTIQYJNW-MRVPVSSYSA-N
XLogP1.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

butyl (2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate
CID 102379373
propyl 2-(2-methoxyethoxycarbonylamino)-4-methylsulfanylbutanoate
CID 91694246
butyl (2S)-4-methylsulfanyl-2-(propoxycarbonylamino)butanoate
CID 20836736
propyl 2-(methoxycarbonylamino)hexanoate
CID 91718656
propyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate
CID 91718605
butyl 4-methylsulfanyl-2-(prop-2-enoxycarbonylamino)butanoate
CID 6420956
propyl (2S)-2-benzamido-4-methylsulfanylbutanoate
CID 67365199
octyl 2-(2-chloroethoxycarbonylamino)-4-methylsulfanylbutanoate
CID 91723917
tetradecyl 4-methylsulfanyl-2-(prop-2-ynoxycarbonylamino)butanoate
CID 91694302
methyl 4-methylsulfanyl-2-(propanoylamino)butanoate
CID 21476824
pentadecyl 2-(methoxycarbonylamino)octanoate
CID 91726033
(2S)-2-(butoxycarbonylamino)-4-methylsulfanylbutanoic acid
CID 54317613

Frequently Asked Questions

What is the IUPAC name of propyl (2R)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate?
The IUPAC name of propyl (2R)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate (CID 102379384) is propyl (2R)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate.
What is the SMILES notation for propyl (2R)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate?
The canonical SMILES for propyl (2R)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate is CCCOC(=O)[C@@H](CCSC)NC(=O)OC.
What is the InChIKey of propyl (2R)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate?
The InChIKey is RPHXNKFTIQYJNW-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-4-6-15-9(12)8(5-7-16-3)11-10(13)14-2/h8H,4-7H2,1-3H3,(H,11,13)/t8-/m1/s1.
What are the key properties of propyl (2R)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate?
propyl (2R)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate has a molecular weight of 249.33 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (2R)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate is sourced from PubChem (CID 102379384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).