CID 58936787

C12H19NO4 — CID 58936787

IUPAC—
SMILES[CH]C(N1CCCC1=O)C(C)(C)OC(=O)C(C)O
InChIInChI=1S/C12H19NO4/c1-8(14)11(16)17-12(3,4)9(2)13-7-5-6-10(13)15/h2,8-9,14H,5-7H2,1,3-4H3
InChIKeyYJYJTCXDUBAILR-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.39
Rot. Bonds4

About CID 58936787

CID 58936787 (PubChem CID 58936787) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol.

Molecular Properties

Compound NameCID 58936787
PubChem CID58936787
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name—
SMILES[CH]C(N1CCCC1=O)C(C)(C)OC(=O)C(C)O
InChIInChI=1S/C12H19NO4/c1-8(14)11(16)17-12(3,4)9(2)13-7-5-6-10(13)15/h2,8-9,14H,5-7H2,1,3-4H3
InChIKeyYJYJTCXDUBAILR-UHFFFAOYSA-N
XLogP0.39
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 58936787?
The IUPAC name of CID 58936787 (CID 58936787) is not available.
What is the SMILES notation for CID 58936787?
The canonical SMILES for CID 58936787 is [CH]C(N1CCCC1=O)C(C)(C)OC(=O)C(C)O.
What is the InChIKey of CID 58936787?
The InChIKey is YJYJTCXDUBAILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-8(14)11(16)17-12(3,4)9(2)13-7-5-6-10(13)15/h2,8-9,14H,5-7H2,1,3-4H3.
What are the key properties of CID 58936787?
CID 58936787 has a molecular weight of 241.29 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58936787 is sourced from PubChem (CID 58936787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).