3-(3-carboxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C11H17NO5 — CID 53369533

IUPAC3-(3-carboxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)NCCCC(=O)O
InChIInChI=1S/C11H17NO5/c1-11(2)7(8(11)10(16)17)9(15)12-5-3-4-6(13)14/h7-8H,3-5H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyJKIZCYCFZUKCDM-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.32
Rot. Bonds6

About 3-(3-carboxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid

3-(3-carboxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 53369533) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-(3-carboxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-carboxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID53369533
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name3-(3-carboxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)NCCCC(=O)O
InChIInChI=1S/C11H17NO5/c1-11(2)7(8(11)10(16)17)9(15)12-5-3-4-6(13)14/h7-8H,3-5H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyJKIZCYCFZUKCDM-UHFFFAOYSA-N
XLogP0.32
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-carboxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(3-carboxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 53369533) is 3-(3-carboxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(3-carboxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(3-carboxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1C(=O)NCCCC(=O)O.
What is the InChIKey of 3-(3-carboxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is JKIZCYCFZUKCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-11(2)7(8(11)10(16)17)9(15)12-5-3-4-6(13)14/h7-8H,3-5H2,1-2H3,(H,12,15)(H,13,14)(H,16,17).
What are the key properties of 3-(3-carboxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(3-carboxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carboxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 53369533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).