1-(3-methylbutylcarbamoyl)cyclopropane-1-carboxylic acid

C10H17NO3 — CID 62096934

IUPAC1-(3-methylbutylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC(C)CCNC(=O)C1(C(=O)O)CC1
InChIInChI=1S/C10H17NO3/c1-7(2)3-6-11-8(12)10(4-5-10)9(13)14/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyMBMYPOSVTVYSSL-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.01
Rot. Bonds5

About 1-(3-methylbutylcarbamoyl)cyclopropane-1-carboxylic acid

1-(3-methylbutylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 62096934) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(3-methylbutylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylbutylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID62096934
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(3-methylbutylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC(C)CCNC(=O)C1(C(=O)O)CC1
InChIInChI=1S/C10H17NO3/c1-7(2)3-6-11-8(12)10(4-5-10)9(13)14/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyMBMYPOSVTVYSSL-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.01
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-(2-methylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095026
1-amino-N-(3-methylbutyl)cyclopentane-1-carboxamide
CID 60866848
1-amino-N-(3-methylbutyl)cyclobutane-1-carboxamide
CID 81167864
1-N'-(3,4-dimethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979647
1-N-(3-methylbutyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979657
1-(3-phenylbutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62987535
1-N'-(4-ethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979652
1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 63959927
1-N'-[4-(dimethylamino)phenyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979700
1-N'-[(2-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108975947
1-(N'-hydroxycarbamimidoyl)-N-(5-methylhexyl)cyclopropane-1-carboxamide
CID 115326796
1-N-(3-methylbutyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108979741

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-methylbutylcarbamoyl)cyclopropane-1-carboxylic acid (CID 62096934) is 1-(3-methylbutylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-methylbutylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-methylbutylcarbamoyl)cyclopropane-1-carboxylic acid is CC(C)CCNC(=O)C1(C(=O)O)CC1.
What is the InChIKey of 1-(3-methylbutylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is MBMYPOSVTVYSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(2)3-6-11-8(12)10(4-5-10)9(13)14/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 1-(3-methylbutylcarbamoyl)cyclopropane-1-carboxylic acid?
1-(3-methylbutylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62096934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).