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

C9H15NO4 — CID 122670168

IUPAC1-ethyl-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCC1(C(=O)O)CC1C(=O)N(C)OC
InChIInChI=1S/C9H15NO4/c1-4-9(8(12)13)5-6(9)7(11)10(2)14-3/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyPLVRBZJWCAUMBS-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.51
Rot. Bonds4

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

1-ethyl-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 122670168) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-ethyl-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID122670168
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-ethyl-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCC1(C(=O)O)CC1C(=O)N(C)OC
InChIInChI=1S/C9H15NO4/c1-4-9(8(12)13)5-6(9)7(11)10(2)14-3/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyPLVRBZJWCAUMBS-UHFFFAOYSA-N
XLogP0.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[Methoxy(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 22939237
trans-ethyl (1R,3R)-3-[methoxy(methyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 60002921
{1-[(Methoxy-methyl-carbamoyl)-methyl]-cyclopropyl}-acetic acid
CID 73052642
trans-(1R,2R)-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 87854523
trans-(1R,2R)-2-[methoxy(methyl)carbamoyl]-1-methylcyclopropane-1-carboxylic acid
CID 87854553
Methyl 2-[methoxy(methyl)carbamoyl]-3-methylcyclopropane-1-carboxylate
CID 89851596
trans-(1S,2S)-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93311852
Methyl 3-[methoxy(methyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 123541645
Ethyl 3-[methoxy(methyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 20779141
3-(Dimethylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835167
3-[Methoxy(methyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835578
cis-(1S,2R)-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93311851

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-ethyl-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 122670168) is 1-ethyl-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-ethyl-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-ethyl-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylic acid is CCC1(C(=O)O)CC1C(=O)N(C)OC.
What is the InChIKey of 1-ethyl-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is PLVRBZJWCAUMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-4-9(8(12)13)5-6(9)7(11)10(2)14-3/h6H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 1-ethyl-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylic acid?
1-ethyl-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 122670168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).