(2S)-2-but-3-ynoxypropanoic acid

C7H10O3 — CID 104876016

IUPAC(2S)-2-but-3-ynoxypropanoic acid
SMILESC#CCCO[C@@H](C)C(=O)O
InChIInChI=1S/C7H10O3/c1-3-4-5-10-6(2)7(8)9/h1,6H,4-5H2,2H3,(H,8,9)/t6-/m0/s1
InChIKeyFMTFVHGFYJZADU-LURJTMIESA-N
MW142.15 g/mol
LogP0.50
Rot. Bonds4

About (2S)-2-but-3-ynoxypropanoic acid

(2S)-2-but-3-ynoxypropanoic acid (PubChem CID 104876016) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (2S)-2-but-3-ynoxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-but-3-ynoxypropanoic acid
PubChem CID104876016
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(2S)-2-but-3-ynoxypropanoic acid
SMILESC#CCCO[C@@H](C)C(=O)O
InChIInChI=1S/C7H10O3/c1-3-4-5-10-6(2)7(8)9/h1,6H,4-5H2,2H3,(H,8,9)/t6-/m0/s1
InChIKeyFMTFVHGFYJZADU-LURJTMIESA-N
XLogP0.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-cyanobutoxy)propanoic acid
CID 104875176
2-(2-fluoroethoxy)propanoic acid
CID 84648269
2-(2-aminooxyethoxy)propanoic acid
CID 175557781
(2S)-2-[2-oxo-2-(prop-2-ynylamino)ethoxy]propanoic acid
CID 104876435
(2S)-2-(2-methylsulfanylethoxy)propanoic acid
CID 104875904
2-but-3-enoxypropanoic acid
CID 43128770
(2S)-2-heptoxypropanoic acid
CID 22301798
2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172850156
2-(3,3-difluorobutoxy)propanoic acid
CID 84658279
(2S)-2-(3,3,3-trifluoropropoxy)propanoic acid
CID 104876409
(2S)-2-(3-cyano-3-methylbutoxy)propanoic acid
CID 104876020
2-ethoxypropanoic acid;methane
CID 160636954

Frequently Asked Questions

What is the IUPAC name of (2S)-2-but-3-ynoxypropanoic acid?
The IUPAC name of (2S)-2-but-3-ynoxypropanoic acid (CID 104876016) is (2S)-2-but-3-ynoxypropanoic acid.
What is the SMILES notation for (2S)-2-but-3-ynoxypropanoic acid?
The canonical SMILES for (2S)-2-but-3-ynoxypropanoic acid is C#CCCO[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-but-3-ynoxypropanoic acid?
The InChIKey is FMTFVHGFYJZADU-LURJTMIESA-N. The full InChI is InChI=1S/C7H10O3/c1-3-4-5-10-6(2)7(8)9/h1,6H,4-5H2,2H3,(H,8,9)/t6-/m0/s1.
What are the key properties of (2S)-2-but-3-ynoxypropanoic acid?
(2S)-2-but-3-ynoxypropanoic acid has a molecular weight of 142.15 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-but-3-ynoxypropanoic acid is sourced from PubChem (CID 104876016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).