(1S,2S,3S)-2-ethenyl-3-(hydroxymethyl)cyclopropane-1-carboxylic acid

C7H10O3 — CID 70003005

IUPAC(1S,2S,3S)-2-ethenyl-3-(hydroxymethyl)cyclopropane-1-carboxylic acid
SMILESC=C[C@H]1[C@H](CO)[C@H]1C(=O)O
InChIInChI=1S/C7H10O3/c1-2-4-5(3-8)6(4)7(9)10/h2,4-6,8H,1,3H2,(H,9,10)/t4-,5-,6-/m0/s1
InChIKeyMFPHSAAVBHOVEB-ZLUOBGJFSA-N
MW142.15 g/mol
LogP0.11
Rot. Bonds3

About (1S,2S,3S)-2-ethenyl-3-(hydroxymethyl)cyclopropane-1-carboxylic acid

(1S,2S,3S)-2-ethenyl-3-(hydroxymethyl)cyclopropane-1-carboxylic acid (PubChem CID 70003005) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (1S,2S,3S)-2-ethenyl-3-(hydroxymethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1S,2S,3S)-2-ethenyl-3-(hydroxymethyl)cyclopropane-1-carboxylic acid
PubChem CID70003005
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(1S,2S,3S)-2-ethenyl-3-(hydroxymethyl)cyclopropane-1-carboxylic acid
SMILESC=C[C@H]1[C@H](CO)[C@H]1C(=O)O
InChIInChI=1S/C7H10O3/c1-2-4-5(3-8)6(4)7(9)10/h2,4-6,8H,1,3H2,(H,9,10)/t4-,5-,6-/m0/s1
InChIKeyMFPHSAAVBHOVEB-ZLUOBGJFSA-N
XLogP0.11
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,3S)-2-ethyl-3-(hydroxymethyl)cyclopropane-1-carboxylic acid
CID 70002742
(1S,2S,3S)-2-[(S)-amino(carboxy)methyl]-3-prop-2-enylcyclopropane-1-carboxylic acid
CID 70003963
[(1R,2S,3S)-2-ethenyl-3-propylcyclopropyl]methanol
CID 102418566
7-(hydroxymethyl)-3,3-dioxo-3λ6-thiabicyclo[3.2.0]heptane-6-carboxylic acid
CID 102567556
2,5-bis(ethenyl)-4-formyloxolane-3-carboxylic acid
CID 58193706
trans-(1R,2R)-cyclopentane-1,2,3,4-tetracarboxylic acid
CID 54441949
(1R,2R,3R,4S)-3-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid
CID 99934066
4-(1-hydroxyethenyl)cyclopentane-1,2,3-tricarboxylic acid
CID 158943945
(1S,2R,3R,4R)-6-acetyl-3-prop-2-enylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 102392903
2-chloroacetic acid;prop-2-en-1-ol
CID 87152736
2-hydroxyacetic acid;prop-2-ene-1-thiol
CID 88789188
(1S,2R,3S,4S)-3-[bis(prop-2-enyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51008257

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S)-2-ethenyl-3-(hydroxymethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of (1S,2S,3S)-2-ethenyl-3-(hydroxymethyl)cyclopropane-1-carboxylic acid (CID 70003005) is (1S,2S,3S)-2-ethenyl-3-(hydroxymethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for (1S,2S,3S)-2-ethenyl-3-(hydroxymethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for (1S,2S,3S)-2-ethenyl-3-(hydroxymethyl)cyclopropane-1-carboxylic acid is C=C[C@H]1[C@H](CO)[C@H]1C(=O)O.
What is the InChIKey of (1S,2S,3S)-2-ethenyl-3-(hydroxymethyl)cyclopropane-1-carboxylic acid?
The InChIKey is MFPHSAAVBHOVEB-ZLUOBGJFSA-N. The full InChI is InChI=1S/C7H10O3/c1-2-4-5(3-8)6(4)7(9)10/h2,4-6,8H,1,3H2,(H,9,10)/t4-,5-,6-/m0/s1.
What are the key properties of (1S,2S,3S)-2-ethenyl-3-(hydroxymethyl)cyclopropane-1-carboxylic acid?
(1S,2S,3S)-2-ethenyl-3-(hydroxymethyl)cyclopropane-1-carboxylic acid has a molecular weight of 142.15 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S)-2-ethenyl-3-(hydroxymethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 70003005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).