(2R)-2-[2-(tert-butylcarbamoylamino)-2-oxoethoxy]propanoic acid

C10H18N2O5 — CID 104875381

IUPAC(2R)-2-[2-(tert-butylcarbamoylamino)-2-oxoethoxy]propanoic acid
SMILESC[C@@H](OCC(=O)NC(=O)NC(C)(C)C)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-6(8(14)15)17-5-7(13)11-9(16)12-10(2,3)4/h6H,5H2,1-4H3,(H,14,15)(H2,11,12,13,16)/t6-/m1/s1
InChIKeyWXBBSUZUHHPCNW-ZCFIWIBFSA-N
MW246.26 g/mol
LogP0.10
Rot. Bonds4

About (2R)-2-[2-(tert-butylcarbamoylamino)-2-oxoethoxy]propanoic acid

(2R)-2-[2-(tert-butylcarbamoylamino)-2-oxoethoxy]propanoic acid (PubChem CID 104875381) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2R)-2-[2-(tert-butylcarbamoylamino)-2-oxoethoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(tert-butylcarbamoylamino)-2-oxoethoxy]propanoic acid
PubChem CID104875381
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name(2R)-2-[2-(tert-butylcarbamoylamino)-2-oxoethoxy]propanoic acid
SMILESC[C@@H](OCC(=O)NC(=O)NC(C)(C)C)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-6(8(14)15)17-5-7(13)11-9(16)12-10(2,3)4/h6H,5H2,1-4H3,(H,14,15)(H2,11,12,13,16)/t6-/m1/s1
InChIKeyWXBBSUZUHHPCNW-ZCFIWIBFSA-N
XLogP0.10
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(tert-butylcarbamoylamino)-2-oxoethyl] acetate
CID 2108654
2-[2-(tert-butylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 43237344
N-(tert-butylcarbamoyl)-2-hydroxyacetamide
CID 43558926
(2S)-2-[2-(2-acetamidoethylamino)-2-oxoethoxy]propanoic acid
CID 104876100
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2565014
N-(tert-butylcarbamoyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61028341
(2S)-2-[2-oxo-2-(prop-2-ynylamino)ethoxy]propanoic acid
CID 104876435
(2S)-2-[2-(butylamino)-2-oxoethoxy]propanoic acid
CID 104876101
(2S)-2-[3-(methylcarbamoylamino)-3-oxopropoxy]propanoic acid
CID 104876434
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-benzamido-3-methylbutanoate
CID 55315761
[2-(tert-butylcarbamoylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55928421
[2-(tert-butylcarbamoylamino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7977928

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(tert-butylcarbamoylamino)-2-oxoethoxy]propanoic acid?
The IUPAC name of (2R)-2-[2-(tert-butylcarbamoylamino)-2-oxoethoxy]propanoic acid (CID 104875381) is (2R)-2-[2-(tert-butylcarbamoylamino)-2-oxoethoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[2-(tert-butylcarbamoylamino)-2-oxoethoxy]propanoic acid?
The canonical SMILES for (2R)-2-[2-(tert-butylcarbamoylamino)-2-oxoethoxy]propanoic acid is C[C@@H](OCC(=O)NC(=O)NC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[2-(tert-butylcarbamoylamino)-2-oxoethoxy]propanoic acid?
The InChIKey is WXBBSUZUHHPCNW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-6(8(14)15)17-5-7(13)11-9(16)12-10(2,3)4/h6H,5H2,1-4H3,(H,14,15)(H2,11,12,13,16)/t6-/m1/s1.
What are the key properties of (2R)-2-[2-(tert-butylcarbamoylamino)-2-oxoethoxy]propanoic acid?
(2R)-2-[2-(tert-butylcarbamoylamino)-2-oxoethoxy]propanoic acid has a molecular weight of 246.26 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(tert-butylcarbamoylamino)-2-oxoethoxy]propanoic acid is sourced from PubChem (CID 104875381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).