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

C10H17NO3 — CID 62095052

IUPAC1-[butan-2-yl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCC(C)N(C)C(=O)C1(C(=O)O)CC1
InChIInChI=1S/C10H17NO3/c1-4-7(2)11(3)8(12)10(5-6-10)9(13)14/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyZUQQZLJPENUUTC-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.11
Rot. Bonds4

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

1-[butan-2-yl(methyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 62095052) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-[butan-2-yl(methyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[butan-2-yl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID62095052
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-[butan-2-yl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCC(C)N(C)C(=O)C1(C(=O)O)CC1
InChIInChI=1S/C10H17NO3/c1-4-7(2)11(3)8(12)10(5-6-10)9(13)14/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyZUQQZLJPENUUTC-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[butan-2-yl(methyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[butan-2-yl(methyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 62095052) is 1-[butan-2-yl(methyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[butan-2-yl(methyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[butan-2-yl(methyl)carbamoyl]cyclopropane-1-carboxylic acid is CCC(C)N(C)C(=O)C1(C(=O)O)CC1.
What is the InChIKey of 1-[butan-2-yl(methyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZUQQZLJPENUUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-7(2)11(3)8(12)10(5-6-10)9(13)14/h7H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 1-[butan-2-yl(methyl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[butan-2-yl(methyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butan-2-yl(methyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62095052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).