(2S,3R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

C10H19NO5 — CID 15460346

IUPAC(2S,3R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H19NO5/c1-6(15-5)7(8(12)13)11-9(14)16-10(2,3)4/h6-7H,1-5H3,(H,11,14)(H,12,13)/t6-,7+/m1/s1
InChIKeyVWSUOKFUIPMDDX-RQJHMYQMSA-N
MW233.26 g/mol
LogP1.00
Rot. Bonds4

About (2S,3R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

(2S,3R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (PubChem CID 15460346) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is (2S,3R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
PubChem CID15460346
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name(2S,3R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H19NO5/c1-6(15-5)7(8(12)13)11-9(14)16-10(2,3)4/h6-7H,1-5H3,(H,11,14)(H,12,13)/t6-,7+/m1/s1
InChIKeyVWSUOKFUIPMDDX-RQJHMYQMSA-N
XLogP1.00
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The IUPAC name of (2S,3R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (CID 15460346) is (2S,3R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
What is the SMILES notation for (2S,3R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The canonical SMILES for (2S,3R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2S,3R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The InChIKey is VWSUOKFUIPMDDX-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H19NO5/c1-6(15-5)7(8(12)13)11-9(14)16-10(2,3)4/h6-7H,1-5H3,(H,11,14)(H,12,13)/t6-,7+/m1/s1.
What are the key properties of (2S,3R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
(2S,3R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid has a molecular weight of 233.26 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is sourced from PubChem (CID 15460346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).