methyl 4-(methoxycarbonylamino)-2,2,4-trimethylpentanoate

C11H21NO4 — CID 137456868

IUPACmethyl 4-(methoxycarbonylamino)-2,2,4-trimethylpentanoate
SMILESCOC(=O)NC(C)(C)CC(C)(C)C(=O)OC
InChIInChI=1S/C11H21NO4/c1-10(2,8(13)15-5)7-11(3,4)12-9(14)16-6/h7H2,1-6H3,(H,12,14)
InChIKeyYJKRMOAXIFVXNZ-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.71
Rot. Bonds4

About methyl 4-(methoxycarbonylamino)-2,2,4-trimethylpentanoate

methyl 4-(methoxycarbonylamino)-2,2,4-trimethylpentanoate (PubChem CID 137456868) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl 4-(methoxycarbonylamino)-2,2,4-trimethylpentanoate.

Molecular Properties

Compound Namemethyl 4-(methoxycarbonylamino)-2,2,4-trimethylpentanoate
PubChem CID137456868
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namemethyl 4-(methoxycarbonylamino)-2,2,4-trimethylpentanoate
SMILESCOC(=O)NC(C)(C)CC(C)(C)C(=O)OC
InChIInChI=1S/C11H21NO4/c1-10(2,8(13)15-5)7-11(3,4)12-9(14)16-6/h7H2,1-6H3,(H,12,14)
InChIKeyYJKRMOAXIFVXNZ-UHFFFAOYSA-N
XLogP1.71
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(methoxycarbonylamino)-2,2,4-trimethylpentanoate?
The IUPAC name of methyl 4-(methoxycarbonylamino)-2,2,4-trimethylpentanoate (CID 137456868) is methyl 4-(methoxycarbonylamino)-2,2,4-trimethylpentanoate.
What is the SMILES notation for methyl 4-(methoxycarbonylamino)-2,2,4-trimethylpentanoate?
The canonical SMILES for methyl 4-(methoxycarbonylamino)-2,2,4-trimethylpentanoate is COC(=O)NC(C)(C)CC(C)(C)C(=O)OC.
What is the InChIKey of methyl 4-(methoxycarbonylamino)-2,2,4-trimethylpentanoate?
The InChIKey is YJKRMOAXIFVXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-10(2,8(13)15-5)7-11(3,4)12-9(14)16-6/h7H2,1-6H3,(H,12,14).
What are the key properties of methyl 4-(methoxycarbonylamino)-2,2,4-trimethylpentanoate?
methyl 4-(methoxycarbonylamino)-2,2,4-trimethylpentanoate has a molecular weight of 231.29 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methoxycarbonylamino)-2,2,4-trimethylpentanoate is sourced from PubChem (CID 137456868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).