(2S)-2-(ethoxymethyl)but-3-ynoic acid

C7H10O3 — CID 118348661

IUPAC(2S)-2-(ethoxymethyl)but-3-ynoic acid
SMILESC#C[C@@H](COCC)C(=O)O
InChIInChI=1S/C7H10O3/c1-3-6(7(8)9)5-10-4-2/h1,6H,4-5H2,2H3,(H,8,9)/t6-/m0/s1
InChIKeyZEVJDUBJCFAFGT-LURJTMIESA-N
MW142.15 g/mol
LogP0.36
Rot. Bonds4

About (2S)-2-(ethoxymethyl)but-3-ynoic acid

(2S)-2-(ethoxymethyl)but-3-ynoic acid (PubChem CID 118348661) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (2S)-2-(ethoxymethyl)but-3-ynoic acid.

Molecular Properties

Compound Name(2S)-2-(ethoxymethyl)but-3-ynoic acid
PubChem CID118348661
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(2S)-2-(ethoxymethyl)but-3-ynoic acid
SMILESC#C[C@@H](COCC)C(=O)O
InChIInChI=1S/C7H10O3/c1-3-6(7(8)9)5-10-4-2/h1,6H,4-5H2,2H3,(H,8,9)/t6-/m0/s1
InChIKeyZEVJDUBJCFAFGT-LURJTMIESA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-2-ethoxycarbonyl-4-hydroxypentanoic acid
CID 103973534
2-(ethoxymethyl)-3,3,3-trifluoropropanoic acid
CID 23113136
3-ethoxy-2-[methyl(2-methylpropyl)amino]propanoic acid
CID 163401072
4-amino-2-(ethoxymethyl)butanoic acid
CID 104680964
(3S)-4-ethoxy-3-methylbutanoic acid
CID 59960254
acetic acid;butane-2,3-diol;ethoxyethane
CID 174725682
2-(1-ethoxypropan-2-yl)pentanoic acid
CID 172824174
3-ethoxy-2-formamidopropanoic acid
CID 81079931
1-ethoxybut-3-yn-2-ylhydrazine
CID 105235282
ethyl 2-(ethoxymethyl)pentanoate
CID 140987301
(2S)-3-ethoxy-2-(phosphonomethylamino)propanoic acid
CID 90871035
acetic acid;ethane-1,2-diamine;ethoxyethane
CID 162110853

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethoxymethyl)but-3-ynoic acid?
The IUPAC name of (2S)-2-(ethoxymethyl)but-3-ynoic acid (CID 118348661) is (2S)-2-(ethoxymethyl)but-3-ynoic acid.
What is the SMILES notation for (2S)-2-(ethoxymethyl)but-3-ynoic acid?
The canonical SMILES for (2S)-2-(ethoxymethyl)but-3-ynoic acid is C#C[C@@H](COCC)C(=O)O.
What is the InChIKey of (2S)-2-(ethoxymethyl)but-3-ynoic acid?
The InChIKey is ZEVJDUBJCFAFGT-LURJTMIESA-N. The full InChI is InChI=1S/C7H10O3/c1-3-6(7(8)9)5-10-4-2/h1,6H,4-5H2,2H3,(H,8,9)/t6-/m0/s1.
What are the key properties of (2S)-2-(ethoxymethyl)but-3-ynoic acid?
(2S)-2-(ethoxymethyl)but-3-ynoic acid has a molecular weight of 142.15 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethoxymethyl)but-3-ynoic acid is sourced from PubChem (CID 118348661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).