2-(3-methylpentan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid

C11H19NO3 — CID 61463679

IUPAC2-(3-methylpentan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCCC(C)C(C)NC(=O)C1CC1C(=O)O
InChIInChI=1S/C11H19NO3/c1-4-6(2)7(3)12-10(13)8-5-9(8)11(14)15/h6-9H,4-5H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyVAKNWRHBEPLCSI-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.26
Rot. Bonds5

About 2-(3-methylpentan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid

2-(3-methylpentan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 61463679) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(3-methylpentan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylpentan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID61463679
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-(3-methylpentan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCCC(C)C(C)NC(=O)C1CC1C(=O)O
InChIInChI=1S/C11H19NO3/c1-4-6(2)7(3)12-10(13)8-5-9(8)11(14)15/h6-9H,4-5H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyVAKNWRHBEPLCSI-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 103978580
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2-(1-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
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2-(4-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
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2-(pent-1-yn-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106223865
2-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
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2-(1-cyclopropylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60790933
2-(6-methylheptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
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4-methyl-2-(4-methylhexan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(3-methylpentan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid (CID 61463679) is 2-(3-methylpentan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(3-methylpentan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(3-methylpentan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid is CCC(C)C(C)NC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-(3-methylpentan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is VAKNWRHBEPLCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-6(2)7(3)12-10(13)8-5-9(8)11(14)15/h6-9H,4-5H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-(3-methylpentan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid?
2-(3-methylpentan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 61463679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).