(2S)-3-methoxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

C10H19NO5 — CID 151896508

IUPAC(2S)-3-methoxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCOC[C@](C)(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H19NO5/c1-9(2,3)16-8(14)11-10(4,6-15-5)7(12)13/h6H2,1-5H3,(H,11,14)(H,12,13)/t10-/m0/s1
InChIKeySRVMQKXUESBHBP-JTQLQIEISA-N
MW233.26 g/mol
LogP1.00
Rot. Bonds4

About (2S)-3-methoxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

(2S)-3-methoxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 151896508) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is (2S)-3-methoxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-methoxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
PubChem CID151896508
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name(2S)-3-methoxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCOC[C@](C)(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H19NO5/c1-9(2,3)16-8(14)11-10(4,6-15-5)7(12)13/h6H2,1-5H3,(H,11,14)(H,12,13)/t10-/m0/s1
InChIKeySRVMQKXUESBHBP-JTQLQIEISA-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)-3-methoxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The IUPAC name of (2S)-3-methoxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 151896508) is (2S)-3-methoxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
What is the SMILES notation for (2S)-3-methoxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The canonical SMILES for (2S)-3-methoxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is COC[C@](C)(NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-3-methoxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The InChIKey is SRVMQKXUESBHBP-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19NO5/c1-9(2,3)16-8(14)11-10(4,6-15-5)7(12)13/h6H2,1-5H3,(H,11,14)(H,12,13)/t10-/m0/s1.
What are the key properties of (2S)-3-methoxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
(2S)-3-methoxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic 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)-3-methoxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 151896508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).