2-cyclopentyl-3-methylbutanedioic acid;N-ethylethanamine

C14H27NO4 — CID 174671046

IUPAC2-cyclopentyl-3-methylbutanedioic acid;N-ethylethanamine
SMILESCC(C(=O)O)C(C(=O)O)C1CCCC1.CCNCC
InChIInChI=1S/C10H16O4.C4H11N/c1-6(9(11)12)8(10(13)14)7-4-2-3-5-7;1-3-5-4-2/h6-8H,2-5H2,1H3,(H,11,12)(H,13,14);5H,3-4H2,1-2H3
InChIKeyVVYPSYBJUUSDPO-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.21
Rot. Bonds6

About 2-cyclopentyl-3-methylbutanedioic acid;N-ethylethanamine

2-cyclopentyl-3-methylbutanedioic acid;N-ethylethanamine (PubChem CID 174671046) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 2-cyclopentyl-3-methylbutanedioic acid;N-ethylethanamine.

Molecular Properties

Compound Name2-cyclopentyl-3-methylbutanedioic acid;N-ethylethanamine
PubChem CID174671046
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name2-cyclopentyl-3-methylbutanedioic acid;N-ethylethanamine
SMILESCC(C(=O)O)C(C(=O)O)C1CCCC1.CCNCC
InChIInChI=1S/C10H16O4.C4H11N/c1-6(9(11)12)8(10(13)14)7-4-2-3-5-7;1-3-5-4-2/h6-8H,2-5H2,1H3,(H,11,12)(H,13,14);5H,3-4H2,1-2H3
InChIKeyVVYPSYBJUUSDPO-UHFFFAOYSA-N
XLogP2.21
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-methylbutanedioic acid;N-ethylethanamine?
The IUPAC name of 2-cyclopentyl-3-methylbutanedioic acid;N-ethylethanamine (CID 174671046) is 2-cyclopentyl-3-methylbutanedioic acid;N-ethylethanamine.
What is the SMILES notation for 2-cyclopentyl-3-methylbutanedioic acid;N-ethylethanamine?
The canonical SMILES for 2-cyclopentyl-3-methylbutanedioic acid;N-ethylethanamine is CC(C(=O)O)C(C(=O)O)C1CCCC1.CCNCC.
What is the InChIKey of 2-cyclopentyl-3-methylbutanedioic acid;N-ethylethanamine?
The InChIKey is VVYPSYBJUUSDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4.C4H11N/c1-6(9(11)12)8(10(13)14)7-4-2-3-5-7;1-3-5-4-2/h6-8H,2-5H2,1H3,(H,11,12)(H,13,14);5H,3-4H2,1-2H3.
What are the key properties of 2-cyclopentyl-3-methylbutanedioic acid;N-ethylethanamine?
2-cyclopentyl-3-methylbutanedioic acid;N-ethylethanamine has a molecular weight of 273.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-methylbutanedioic acid;N-ethylethanamine is sourced from PubChem (CID 174671046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).