(2S)-3-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

C10H19NO5 — CID 11075314

IUPAC(2S)-3-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCC(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(C)O
InChIInChI=1S/C10H19NO5/c1-9(2,3)16-8(14)11-6(7(12)13)10(4,5)15/h6,15H,1-5H3,(H,11,14)(H,12,13)/t6-/m1/s1
InChIKeySZVRVSZFEDIMFM-ZCFIWIBFSA-N
MW233.26 g/mol
LogP0.74
Rot. Bonds3

About (2S)-3-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

(2S)-3-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (PubChem CID 11075314) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is (2S)-3-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
PubChem CID11075314
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name(2S)-3-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCC(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(C)O
InChIInChI=1S/C10H19NO5/c1-9(2,3)16-8(14)11-6(7(12)13)10(4,5)15/h6,15H,1-5H3,(H,11,14)(H,12,13)/t6-/m1/s1
InChIKeySZVRVSZFEDIMFM-ZCFIWIBFSA-N
XLogP0.74
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Boc-L-Valine
CID 83693
N-[tert-butoxycarbonyl]-L-serine
CID 98766
Boc-DL-valine
CID 270655
2-(((Tert-butoxy)carbonyl)amino)pentanoic acid
CID 302433
N-Boc-D-serine methyl ester
CID 377723
(2R)-2-(((tert-butoxy)carbonyl)amino)-3-methylbutanoic acid
CID 637605
(2S)-2-(((tert-butoxy)carbonyl)amino)pentanoic acid
CID 2733748
(S)-2-((tert-Butoxycarbonyl)amino)-3,3-dimethylbutanoic acid
CID 2734668
N-Boc-L-serine methyl ester
CID 7019177
2-(((Tert-butoxy)carbonyl)amino)butanoic acid
CID 333522
(R)-2-tert-butoxycarbonylamino-3-hydroxy propionic acid
CID 637603
(2S)-3-(tert-butoxy)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid
CID 7017896

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The IUPAC name of (2S)-3-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (CID 11075314) is (2S)-3-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The canonical SMILES for (2S)-3-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is CC(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(C)O.
What is the InChIKey of (2S)-3-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The InChIKey is SZVRVSZFEDIMFM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H19NO5/c1-9(2,3)16-8(14)11-6(7(12)13)10(4,5)15/h6,15H,1-5H3,(H,11,14)(H,12,13)/t6-/m1/s1.
What are the key properties of (2S)-3-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
(2S)-3-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid has a molecular weight of 233.26 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is sourced from PubChem (CID 11075314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).