[(2S,3S)-3-hydroxy-4-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]carbamic acid

C10H20N2O4 — CID 90043769

IUPAC[(2S,3S)-3-hydroxy-4-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]carbamic acid
SMILESCC(C)CN(C)C(=O)[C@@H](O)[C@H](C)NC(=O)O
InChIInChI=1S/C10H20N2O4/c1-6(2)5-12(4)9(14)8(13)7(3)11-10(15)16/h6-8,11,13H,5H2,1-4H3,(H,15,16)/t7-,8-/m0/s1
InChIKeyYVLLEYCTOFGUMI-YUMQZZPRSA-N
MW232.28 g/mol
LogP0.12
Rot. Bonds5

About [(2S,3S)-3-hydroxy-4-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]carbamic acid

[(2S,3S)-3-hydroxy-4-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]carbamic acid (PubChem CID 90043769) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is [(2S,3S)-3-hydroxy-4-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S,3S)-3-hydroxy-4-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]carbamic acid
PubChem CID90043769
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name[(2S,3S)-3-hydroxy-4-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]carbamic acid
SMILESCC(C)CN(C)C(=O)[C@@H](O)[C@H](C)NC(=O)O
InChIInChI=1S/C10H20N2O4/c1-6(2)5-12(4)9(14)8(13)7(3)11-10(15)16/h6-8,11,13H,5H2,1-4H3,(H,15,16)/t7-,8-/m0/s1
InChIKeyYVLLEYCTOFGUMI-YUMQZZPRSA-N
XLogP0.12
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-hydroxy-4-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]carbamic acid?
The IUPAC name of [(2S,3S)-3-hydroxy-4-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]carbamic acid (CID 90043769) is [(2S,3S)-3-hydroxy-4-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for [(2S,3S)-3-hydroxy-4-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]carbamic acid?
The canonical SMILES for [(2S,3S)-3-hydroxy-4-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]carbamic acid is CC(C)CN(C)C(=O)[C@@H](O)[C@H](C)NC(=O)O.
What is the InChIKey of [(2S,3S)-3-hydroxy-4-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]carbamic acid?
The InChIKey is YVLLEYCTOFGUMI-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-6(2)5-12(4)9(14)8(13)7(3)11-10(15)16/h6-8,11,13H,5H2,1-4H3,(H,15,16)/t7-,8-/m0/s1.
What are the key properties of [(2S,3S)-3-hydroxy-4-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]carbamic acid?
[(2S,3S)-3-hydroxy-4-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]carbamic acid has a molecular weight of 232.28 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-hydroxy-4-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 90043769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).