(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid

C10H19NO5S — CID 154729026

IUPAC(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid
SMILESCSC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)O
InChIInChI=1S/C10H19NO5S/c1-10(2,3)16-9(15)11-6(5-17-4)7(12)8(13)14/h6-7,12H,5H2,1-4H3,(H,11,15)(H,13,14)/t6-,7+/m1/s1
InChIKeyRYNPGCJDTGARGW-RQJHMYQMSA-N
MW265.33 g/mol
LogP0.69
Rot. Bonds5

About (2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid

(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid (PubChem CID 154729026) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is (2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid
PubChem CID154729026
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid
SMILESCSC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)O
InChIInChI=1S/C10H19NO5S/c1-10(2,3)16-9(15)11-6(5-17-4)7(12)8(13)14/h6-7,12H,5H2,1-4H3,(H,11,15)(H,13,14)/t6-,7+/m1/s1
InChIKeyRYNPGCJDTGARGW-RQJHMYQMSA-N
XLogP0.69
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid with MolForge

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Related Compounds

2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid
CID 154730311
(3R)-4-ethylsulfanyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 126762335
(3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoic acid
CID 130420470
methyl (3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-methylsulfanylpentanoate
CID 91551587
(2S,3R)-4-(4-chlorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 172569374
(3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 118276545
(3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 125180154
tert-butyl N-(1-amino-2-hydroxy-1-oxopentan-3-yl)carbamate
CID 143352872
tert-butyl N-[(2R,3R,4R)-3,4-dideuterio-4-methylsulfanylbutan-2-yl]carbamate
CID 91870544
tert-butyl N-(1-cyano-1-hydroxy-4-methylsulfanylbutan-2-yl)carbamate
CID 130004276
tert-butyl N-[(2R,3S)-1,4-dichloro-3-hydroxybutan-2-yl]carbamate
CID 11368909
2-hydroxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanedioic acid
CID 119053739

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid?
The IUPAC name of (2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid (CID 154729026) is (2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid.
What is the SMILES notation for (2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid?
The canonical SMILES for (2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid is CSC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)O.
What is the InChIKey of (2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid?
The InChIKey is RYNPGCJDTGARGW-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-10(2,3)16-9(15)11-6(5-17-4)7(12)8(13)14/h6-7,12H,5H2,1-4H3,(H,11,15)(H,13,14)/t6-,7+/m1/s1.
What are the key properties of (2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid?
(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid has a molecular weight of 265.33 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 154729026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).