(2R)-2-(1-cyanopropoxy)propanoic acid

C7H11NO3 — CID 104875341

IUPAC(2R)-2-(1-cyanopropoxy)propanoic acid
SMILESCCC(C#N)O[C@H](C)C(=O)O
InChIInChI=1S/C7H11NO3/c1-3-6(4-8)11-5(2)7(9)10/h5-6H,3H2,1-2H3,(H,9,10)/t5-,6?/m1/s1
InChIKeyQYKRSWPHXMSYCC-LWOQYNTDSA-N
MW157.17 g/mol
LogP0.78
Rot. Bonds4

About (2R)-2-(1-cyanopropoxy)propanoic acid

(2R)-2-(1-cyanopropoxy)propanoic acid (PubChem CID 104875341) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (2R)-2-(1-cyanopropoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(1-cyanopropoxy)propanoic acid
PubChem CID104875341
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(2R)-2-(1-cyanopropoxy)propanoic acid
SMILESCCC(C#N)O[C@H](C)C(=O)O
InChIInChI=1S/C7H11NO3/c1-3-6(4-8)11-5(2)7(9)10/h5-6H,3H2,1-2H3,(H,9,10)/t5-,6?/m1/s1
InChIKeyQYKRSWPHXMSYCC-LWOQYNTDSA-N
XLogP0.78
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butan-2-yloxy-3-cyano-2-methylpropanoic acid
CID 23629620
1-cyanopropyl 2-methylprop-2-enoate
CID 22596498
butane;2-cyanopropanoic acid
CID 87498788
[(1S)-1-cyano-3-methylbutyl] ethyl carbonate
CID 102577018
N-(1-cyano-2-methylbutyl)acetamide
CID 538622
azane;(1-cyano-2-hydroxyethyl) hydrogen carbonate
CID 173330746
(2S)-2-(2-ethylbutoxy)propanoic acid
CID 104876124
(2S)-2-[(2S)-2-methylbutoxy]propanoic acid
CID 150908774
2-(1-carboxyethoxy)butanedioic acid
CID 18176039
pent-1-yn-3-yl hydrogen carbonate
CID 89437565
(2R)-2-(1-amino-1-oxopropan-2-yl)oxypropanoic acid
CID 104875476
2-ethoxypropanoic acid;methane
CID 160636954

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-cyanopropoxy)propanoic acid?
The IUPAC name of (2R)-2-(1-cyanopropoxy)propanoic acid (CID 104875341) is (2R)-2-(1-cyanopropoxy)propanoic acid.
What is the SMILES notation for (2R)-2-(1-cyanopropoxy)propanoic acid?
The canonical SMILES for (2R)-2-(1-cyanopropoxy)propanoic acid is CCC(C#N)O[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-(1-cyanopropoxy)propanoic acid?
The InChIKey is QYKRSWPHXMSYCC-LWOQYNTDSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-6(4-8)11-5(2)7(9)10/h5-6H,3H2,1-2H3,(H,9,10)/t5-,6?/m1/s1.
What are the key properties of (2R)-2-(1-cyanopropoxy)propanoic acid?
(2R)-2-(1-cyanopropoxy)propanoic acid has a molecular weight of 157.17 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-cyanopropoxy)propanoic acid is sourced from PubChem (CID 104875341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).