2-[2-hydroxyethyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid

C8H13NO4 — CID 60949515

IUPAC2-[2-hydroxyethyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCN(CCO)C(=O)C1CC1C(=O)O
InChIInChI=1S/C8H13NO4/c1-9(2-3-10)7(11)5-4-6(5)8(12)13/h5-6,10H,2-4H2,1H3,(H,12,13)
InChIKeySKQVGESLZDFHKN-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.84
Rot. Bonds4

About 2-[2-hydroxyethyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid

2-[2-hydroxyethyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60949515) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60949515
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-[2-hydroxyethyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCN(CCO)C(=O)C1CC1C(=O)O
InChIInChI=1S/C8H13NO4/c1-9(2-3-10)7(11)5-4-6(5)8(12)13/h5-6,10H,2-4H2,1H3,(H,12,13)
InChIKeySKQVGESLZDFHKN-UHFFFAOYSA-N
XLogP-0.84
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-hydroxyethyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 60949515) is 2-[2-hydroxyethyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid is CN(CCO)C(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is SKQVGESLZDFHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-9(2-3-10)7(11)5-4-6(5)8(12)13/h5-6,10H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-[2-hydroxyethyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[2-hydroxyethyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 187.19 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60949515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).