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

C9H15NO4 — CID 60949132

IUPAC2-[ethyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCN(CCO)C(=O)C1CC1C(=O)O
InChIInChI=1S/C9H15NO4/c1-2-10(3-4-11)8(12)6-5-7(6)9(13)14/h6-7,11H,2-5H2,1H3,(H,13,14)
InChIKeyKNRGEDLFGSGESM-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.45
Rot. Bonds5

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

2-[ethyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60949132) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60949132
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-[ethyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCN(CCO)C(=O)C1CC1C(=O)O
InChIInChI=1S/C9H15NO4/c1-2-10(3-4-11)8(12)6-5-7(6)9(13)14/h6-7,11H,2-5H2,1H3,(H,13,14)
InChIKeyKNRGEDLFGSGESM-UHFFFAOYSA-N
XLogP-0.45
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 60949132) is 2-[ethyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid is CCN(CCO)C(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is KNRGEDLFGSGESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-10(3-4-11)8(12)6-5-7(6)9(13)14/h6-7,11H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-[ethyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[ethyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of -0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60949132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).