2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetic acid

C6H10O3 — CID 118622769

IUPAC2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetic acid
SMILESO=C(O)C[C@H]1C[C@@H]1CO
InChIInChI=1S/C6H10O3/c7-3-5-1-4(5)2-6(8)9/h4-5,7H,1-3H2,(H,8,9)/t4-,5-/m1/s1
InChIKeyRJMZPZMBRSCURY-RFZPGFLSSA-N
MW130.14 g/mol
LogP0.09
Rot. Bonds3

About 2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetic acid

2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetic acid (PubChem CID 118622769) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetic acid
PubChem CID118622769
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetic acid
SMILESO=C(O)C[C@H]1C[C@@H]1CO
InChIInChI=1S/C6H10O3/c7-3-5-1-4(5)2-6(8)9/h4-5,7H,1-3H2,(H,8,9)/t4-,5-/m1/s1
InChIKeyRJMZPZMBRSCURY-RFZPGFLSSA-N
XLogP0.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2-(hydroxymethyl)cyclopropyl]methanol
CID 67842260
2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
CID 11401026
2-[(1R,2R)-2-aminocyclopropyl]acetic acid;hydrochloride
CID 71769500
2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride
CID 71769504
2-[(1R,2S)-2-fluorocyclopropyl]acetic acid
CID 162187891
2-(2-bromocyclopropyl)acetic acid
CID 12943906
2-[2,5-bis(carboxymethyl)oxan-4-yl]acetic acid
CID 172729629
[2-(hydroxymethyl)cyclopropyl]methanol;bis(2-methylprop-2-enoic acid)
CID 68927057
2-[(1R,2R)-2-hexylcyclopropyl]acetic acid
CID 91607184
3-(carboxymethyl)-4-ethylcyclopentane-1-carboxylic acid
CID 123687434
2-[3-(hydroxymethyl)cyclopentyl]acetic acid
CID 105430907
acetic acid;2-(2-octylcyclopropyl)acetic acid
CID 67849608

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetic acid (CID 118622769) is 2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetic acid is O=C(O)C[C@H]1C[C@@H]1CO.
What is the InChIKey of 2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetic acid?
The InChIKey is RJMZPZMBRSCURY-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H10O3/c7-3-5-1-4(5)2-6(8)9/h4-5,7H,1-3H2,(H,8,9)/t4-,5-/m1/s1.
What are the key properties of 2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetic acid?
2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetic acid has a molecular weight of 130.14 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetic acid is sourced from PubChem (CID 118622769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).