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

C9H15NO4 — CID 62335708

IUPAC1-[2-hydroxypropyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(O)CN(C)C(=O)C1(C(=O)O)CC1
InChIInChI=1S/C9H15NO4/c1-6(11)5-10(2)7(12)9(3-4-9)8(13)14/h6,11H,3-5H2,1-2H3,(H,13,14)
InChIKeyMRZWVGUFOZAKIU-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.31
Rot. Bonds4

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

1-[2-hydroxypropyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 62335708) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-[2-hydroxypropyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-hydroxypropyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID62335708
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-[2-hydroxypropyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(O)CN(C)C(=O)C1(C(=O)O)CC1
InChIInChI=1S/C9H15NO4/c1-6(11)5-10(2)7(12)9(3-4-9)8(13)14/h6,11H,3-5H2,1-2H3,(H,13,14)
InChIKeyMRZWVGUFOZAKIU-UHFFFAOYSA-N
XLogP-0.31
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxypropyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[2-hydroxypropyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 62335708) is 1-[2-hydroxypropyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[2-hydroxypropyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[2-hydroxypropyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid is CC(O)CN(C)C(=O)C1(C(=O)O)CC1.
What is the InChIKey of 1-[2-hydroxypropyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is MRZWVGUFOZAKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-6(11)5-10(2)7(12)9(3-4-9)8(13)14/h6,11H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 1-[2-hydroxypropyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[2-hydroxypropyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxypropyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62335708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).