5-[(2S)-oxiran-2-yl]pentanoic acid

C7H12O3 — CID 124512995

IUPAC5-[(2S)-oxiran-2-yl]pentanoic acid
SMILESO=C(O)CCCC[C@H]1CO1
InChIInChI=1S/C7H12O3/c8-7(9)4-2-1-3-6-5-10-6/h6H,1-5H2,(H,8,9)/t6-/m0/s1
InChIKeyIUWHMFHZPLBCPO-LURJTMIESA-N
MW144.17 g/mol
LogP1.03
Rot. Bonds5

About 5-[(2S)-oxiran-2-yl]pentanoic acid

5-[(2S)-oxiran-2-yl]pentanoic acid (PubChem CID 124512995) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 5-[(2S)-oxiran-2-yl]pentanoic acid.

Molecular Properties

Compound Name5-[(2S)-oxiran-2-yl]pentanoic acid
PubChem CID124512995
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name5-[(2S)-oxiran-2-yl]pentanoic acid
SMILESO=C(O)CCCC[C@H]1CO1
InChIInChI=1S/C7H12O3/c8-7(9)4-2-1-3-6-5-10-6/h6H,1-5H2,(H,8,9)/t6-/m0/s1
InChIKeyIUWHMFHZPLBCPO-LURJTMIESA-N
XLogP1.03
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-[4-(oxiran-2-yl)butylsulfanyl]propanoic acid
CID 58205269
5-[(2R)-oxolan-2-yl]pentanoic acid
CID 67391734
2-methylidene-7-(oxiran-2-yl)heptanoic acid
CID 57153387
7-(oxolan-2-yl)heptanoic acid
CID 174977398
5-[4,6-bis(4-carboxybutyl)-1,3,5-trioxan-2-yl]pentanoic acid
CID 101114950
(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
CID 92538674
methyl 6-(oxiran-2-yl)hexanoate
CID 71401806
(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;2-octadecyloxirane
CID 174419582
2-methylidene-8-(oxiran-2-yl)octanamide
CID 135222774
9-(oxiran-2-yl)-N-[4-[9-(oxiran-2-yl)nonanoylamino]butyl]nonanamide
CID 118147117
tert-butyl 9-(oxiran-2-yl)nonanoate
CID 121288864
8-[(3R)-3-(7-carboxyheptyl)oxiran-2-yl]octanoic acid
CID 87164539

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-oxiran-2-yl]pentanoic acid?
The IUPAC name of 5-[(2S)-oxiran-2-yl]pentanoic acid (CID 124512995) is 5-[(2S)-oxiran-2-yl]pentanoic acid.
What is the SMILES notation for 5-[(2S)-oxiran-2-yl]pentanoic acid?
The canonical SMILES for 5-[(2S)-oxiran-2-yl]pentanoic acid is O=C(O)CCCC[C@H]1CO1.
What is the InChIKey of 5-[(2S)-oxiran-2-yl]pentanoic acid?
The InChIKey is IUWHMFHZPLBCPO-LURJTMIESA-N. The full InChI is InChI=1S/C7H12O3/c8-7(9)4-2-1-3-6-5-10-6/h6H,1-5H2,(H,8,9)/t6-/m0/s1.
What are the key properties of 5-[(2S)-oxiran-2-yl]pentanoic acid?
5-[(2S)-oxiran-2-yl]pentanoic acid has a molecular weight of 144.17 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-oxiran-2-yl]pentanoic acid is sourced from PubChem (CID 124512995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).