methyl 2-(cyclopentanecarbonylamino)-3-methylbutanoate

C12H21NO3 — CID 551695

IUPACmethyl 2-(cyclopentanecarbonylamino)-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)C1CCCC1)C(C)C
InChIInChI=1S/C12H21NO3/c1-8(2)10(12(15)16-3)13-11(14)9-6-4-5-7-9/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyIRMVSJQRJUEKNQ-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.49
Rot. Bonds4

About methyl 2-(cyclopentanecarbonylamino)-3-methylbutanoate

methyl 2-(cyclopentanecarbonylamino)-3-methylbutanoate (PubChem CID 551695) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 2-(cyclopentanecarbonylamino)-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopentanecarbonylamino)-3-methylbutanoate
PubChem CID551695
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 2-(cyclopentanecarbonylamino)-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)C1CCCC1)C(C)C
InChIInChI=1S/C12H21NO3/c1-8(2)10(12(15)16-3)13-11(14)9-6-4-5-7-9/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyIRMVSJQRJUEKNQ-UHFFFAOYSA-N
XLogP1.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopentanecarbonylamino)-3-methylbutanoate?
The IUPAC name of methyl 2-(cyclopentanecarbonylamino)-3-methylbutanoate (CID 551695) is methyl 2-(cyclopentanecarbonylamino)-3-methylbutanoate.
What is the SMILES notation for methyl 2-(cyclopentanecarbonylamino)-3-methylbutanoate?
The canonical SMILES for methyl 2-(cyclopentanecarbonylamino)-3-methylbutanoate is COC(=O)C(NC(=O)C1CCCC1)C(C)C.
What is the InChIKey of methyl 2-(cyclopentanecarbonylamino)-3-methylbutanoate?
The InChIKey is IRMVSJQRJUEKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-8(2)10(12(15)16-3)13-11(14)9-6-4-5-7-9/h8-10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of methyl 2-(cyclopentanecarbonylamino)-3-methylbutanoate?
methyl 2-(cyclopentanecarbonylamino)-3-methylbutanoate has a molecular weight of 227.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopentanecarbonylamino)-3-methylbutanoate is sourced from PubChem (CID 551695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).