1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylic acid

C6H10O3 — CID 129375020

IUPAC1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylic acid
SMILESC[C@H](O)C1(C(=O)O)CC1
InChIInChI=1S/C6H10O3/c1-4(7)6(2-3-6)5(8)9/h4,7H,2-3H2,1H3,(H,8,9)/t4-/m0/s1
InChIKeyYMQUSWXJUCTILM-BYPYZUCNSA-N
MW130.14 g/mol
LogP0.23
Rot. Bonds2

About 1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylic acid

1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylic acid (PubChem CID 129375020) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylic acid
PubChem CID129375020
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylic acid
SMILESC[C@H](O)C1(C(=O)O)CC1
InChIInChI=1S/C6H10O3/c1-4(7)6(2-3-6)5(8)9/h4,7H,2-3H2,1H3,(H,8,9)/t4-/m0/s1
InChIKeyYMQUSWXJUCTILM-BYPYZUCNSA-N
XLogP0.23
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylic acid (CID 129375020) is 1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylic acid is C[C@H](O)C1(C(=O)O)CC1.
What is the InChIKey of 1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylic acid?
The InChIKey is YMQUSWXJUCTILM-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10O3/c1-4(7)6(2-3-6)5(8)9/h4,7H,2-3H2,1H3,(H,8,9)/t4-/m0/s1.
What are the key properties of 1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylic acid?
1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylic acid has a molecular weight of 130.14 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 129375020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).