butyl 2-(cyclopropanecarbonylamino)-4-methylpentanoate

C14H25NO3 — CID 91721473

IUPACbutyl 2-(cyclopropanecarbonylamino)-4-methylpentanoate
SMILESCCCCOC(=O)C(CC(C)C)NC(=O)C1CC1
InChIInChI=1S/C14H25NO3/c1-4-5-8-18-14(17)12(9-10(2)3)15-13(16)11-6-7-11/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyLFRMYKYTALYCAS-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.27
Rot. Bonds8

About butyl 2-(cyclopropanecarbonylamino)-4-methylpentanoate

butyl 2-(cyclopropanecarbonylamino)-4-methylpentanoate (PubChem CID 91721473) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is butyl 2-(cyclopropanecarbonylamino)-4-methylpentanoate.

Molecular Properties

Compound Namebutyl 2-(cyclopropanecarbonylamino)-4-methylpentanoate
PubChem CID91721473
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namebutyl 2-(cyclopropanecarbonylamino)-4-methylpentanoate
SMILESCCCCOC(=O)C(CC(C)C)NC(=O)C1CC1
InChIInChI=1S/C14H25NO3/c1-4-5-8-18-14(17)12(9-10(2)3)15-13(16)11-6-7-11/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyLFRMYKYTALYCAS-UHFFFAOYSA-N
XLogP2.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
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 butyl 2-(cyclopropanecarbonylamino)-4-methylpentanoate?
The IUPAC name of butyl 2-(cyclopropanecarbonylamino)-4-methylpentanoate (CID 91721473) is butyl 2-(cyclopropanecarbonylamino)-4-methylpentanoate.
What is the SMILES notation for butyl 2-(cyclopropanecarbonylamino)-4-methylpentanoate?
The canonical SMILES for butyl 2-(cyclopropanecarbonylamino)-4-methylpentanoate is CCCCOC(=O)C(CC(C)C)NC(=O)C1CC1.
What is the InChIKey of butyl 2-(cyclopropanecarbonylamino)-4-methylpentanoate?
The InChIKey is LFRMYKYTALYCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-4-5-8-18-14(17)12(9-10(2)3)15-13(16)11-6-7-11/h10-12H,4-9H2,1-3H3,(H,15,16).
What are the key properties of butyl 2-(cyclopropanecarbonylamino)-4-methylpentanoate?
butyl 2-(cyclopropanecarbonylamino)-4-methylpentanoate has a molecular weight of 255.36 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(cyclopropanecarbonylamino)-4-methylpentanoate is sourced from PubChem (CID 91721473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).