(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

C8H15NO4 — CID 637606

IUPAC(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESC[C@@H](NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m1/s1
InChIKeyQVHJQCGUWFKTSE-RXMQYKEDSA-N
MW189.21 g/mol
LogP0.98
Rot. Bonds2

About (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 637606) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
PubChem CID637606
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESC[C@@H](NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m1/s1
InChIKeyQVHJQCGUWFKTSE-RXMQYKEDSA-N
XLogP0.98
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(tert-butoxycarbonyl)glycine
CID 78288
Boc-L-Valine
CID 83693
Tert-butoxycarbonylalanine
CID 85082
N-[tert-butoxycarbonyl]-L-serine
CID 98766
N-(tert-butoxycarbonyl)-L-aspartic acid
CID 99718
2-N-Boc-aminopropionic acid
CID 268471
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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The IUPAC name of (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 637606) is (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is C[C@@H](NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The InChIKey is QVHJQCGUWFKTSE-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m1/s1.
What are the key properties of (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has a molecular weight of 189.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 637606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).