1-[(1-cyclopropylcyclobutyl)methylcarbamoyl]cyclopropane-1-carboxylic acid

C13H19NO3 — CID 120699068

IUPAC1-[(1-cyclopropylcyclobutyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NCC2(C3CC3)CCC2)CC1
InChIInChI=1S/C13H19NO3/c15-10(13(6-7-13)11(16)17)14-8-12(4-1-5-12)9-2-3-9/h9H,1-8H2,(H,14,15)(H,16,17)
InChIKeyCGUMWFFEJMJTAH-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.55
Rot. Bonds5

About 1-[(1-cyclopropylcyclobutyl)methylcarbamoyl]cyclopropane-1-carboxylic acid

1-[(1-cyclopropylcyclobutyl)methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 120699068) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[(1-cyclopropylcyclobutyl)methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-cyclopropylcyclobutyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID120699068
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-[(1-cyclopropylcyclobutyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NCC2(C3CC3)CCC2)CC1
InChIInChI=1S/C13H19NO3/c15-10(13(6-7-13)11(16)17)14-8-12(4-1-5-12)9-2-3-9/h9H,1-8H2,(H,14,15)(H,16,17)
InChIKeyCGUMWFFEJMJTAH-UHFFFAOYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyano-N-[(1-cyclopropylcyclopropyl)methyl]cyclobutane-1-carboxamide
CID 103839419
4-[[(1-cyclopropylcyclobutyl)methylcarbamoylamino]methyl]benzoic acid
CID 122007556
4-[(1-cyclopropylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114096792
(3aS,6aR)-2-[(1-cyclopropylcyclobutyl)methylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122007561
1-[(1-methylsulfanylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 114117430
1-[(2-methylthiolan-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 80743662
1-cyclopentyl-3-[(1-cyclopropylcyclopropyl)methyl]urea
CID 103839051
1-[(2-methylcyclohexyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096800
1-(2-methylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095026
2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3,3-dimethylbutanoic acid
CID 114096791
2-amino-N-[(1-cyclopropylcyclopropyl)methyl]propanamide
CID 103950896
2-[3-[(1-cyclopropylcyclobutyl)methylcarbamoyl]phenoxy]acetic acid
CID 120699051

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropylcyclobutyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(1-cyclopropylcyclobutyl)methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 120699068) is 1-[(1-cyclopropylcyclobutyl)methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-cyclopropylcyclobutyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(1-cyclopropylcyclobutyl)methylcarbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1(C(=O)NCC2(C3CC3)CCC2)CC1.
What is the InChIKey of 1-[(1-cyclopropylcyclobutyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is CGUMWFFEJMJTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c15-10(13(6-7-13)11(16)17)14-8-12(4-1-5-12)9-2-3-9/h9H,1-8H2,(H,14,15)(H,16,17).
What are the key properties of 1-[(1-cyclopropylcyclobutyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
1-[(1-cyclopropylcyclobutyl)methylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropylcyclobutyl)methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 120699068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).