(2R,3S)-3-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid

C10H19NO5 — CID 10681133

IUPAC(2R,3S)-3-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
SMILESC[C@H](O)[C@H](C(=O)O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO5/c1-6(12)7(8(13)14)11(5)9(15)16-10(2,3)4/h6-7,12H,1-5H3,(H,13,14)/t6-,7+/m0/s1
InChIKeyNHXZARPGSOCYMJ-NKWVEPMBSA-N
MW233.26 g/mol
LogP0.69
Rot. Bonds3

About (2R,3S)-3-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid

(2R,3S)-3-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid (PubChem CID 10681133) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is (2R,3S)-3-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R,3S)-3-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
PubChem CID10681133
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name(2R,3S)-3-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
SMILESC[C@H](O)[C@H](C(=O)O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO5/c1-6(12)7(8(13)14)11(5)9(15)16-10(2,3)4/h6-7,12H,1-5H3,(H,13,14)/t6-,7+/m0/s1
InChIKeyNHXZARPGSOCYMJ-NKWVEPMBSA-N
XLogP0.69
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid?
The IUPAC name of (2R,3S)-3-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid (CID 10681133) is (2R,3S)-3-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid.
What is the SMILES notation for (2R,3S)-3-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid?
The canonical SMILES for (2R,3S)-3-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid is C[C@H](O)[C@H](C(=O)O)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of (2R,3S)-3-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid?
The InChIKey is NHXZARPGSOCYMJ-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H19NO5/c1-6(12)7(8(13)14)11(5)9(15)16-10(2,3)4/h6-7,12H,1-5H3,(H,13,14)/t6-,7+/m0/s1.
What are the key properties of (2R,3S)-3-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid?
(2R,3S)-3-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid has a molecular weight of 233.26 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid is sourced from PubChem (CID 10681133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).