(2R)-2-(cyclopentylmethyl)-3-methylidenebutanedioic acid

C11H16O4 — CID 57007791

IUPAC(2R)-2-(cyclopentylmethyl)-3-methylidenebutanedioic acid
SMILESC=C(C(=O)O)C(CC1CCCC1)C(=O)O
InChIInChI=1S/C11H16O4/c1-7(10(12)13)9(11(14)15)6-8-4-2-3-5-8/h8-9H,1-6H2,(H,12,13)(H,14,15)
InChIKeyWTLNHUJREGKUNJ-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.91
Rot. Bonds5

About (2R)-2-(cyclopentylmethyl)-3-methylidenebutanedioic acid

(2R)-2-(cyclopentylmethyl)-3-methylidenebutanedioic acid (PubChem CID 57007791) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (2R)-2-(cyclopentylmethyl)-3-methylidenebutanedioic acid.

Molecular Properties

Compound Name(2R)-2-(cyclopentylmethyl)-3-methylidenebutanedioic acid
PubChem CID57007791
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(2R)-2-(cyclopentylmethyl)-3-methylidenebutanedioic acid
SMILESC=C(C(=O)O)C(CC1CCCC1)C(=O)O
InChIInChI=1S/C11H16O4/c1-7(10(12)13)9(11(14)15)6-8-4-2-3-5-8/h8-9H,1-6H2,(H,12,13)(H,14,15)
InChIKeyWTLNHUJREGKUNJ-UHFFFAOYSA-N
XLogP1.91
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid
CID 10987299
2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid
CID 11672870
3-cyclohexyl-2-iodopropanoic acid
CID 150221699
(2S)-2-bromo-3-cyclohexylpropanoic acid
CID 58736783
(2R)-2-chloro-3-cyclohexylpropanoic acid
CID 86657609
(2S)-3-cyclohexyl-2-(iodoamino)propanoic acid
CID 142921806
2-(cyclopropylmethyl)-3-oxobutanoic acid
CID 135150499
2-(2-cyclopentylethyl)propanedioic acid
CID 23186368
3-(cyanomethylamino)-2-(cyclohexylmethyl)-3-oxopropanoic acid
CID 87850180
(2S)-2-(cyclohexylmethyl)-3-methylbutanoic acid
CID 22877220
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
3-cyclobutyl-2-cyclopropylpropanoic acid
CID 115013430

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopentylmethyl)-3-methylidenebutanedioic acid?
The IUPAC name of (2R)-2-(cyclopentylmethyl)-3-methylidenebutanedioic acid (CID 57007791) is (2R)-2-(cyclopentylmethyl)-3-methylidenebutanedioic acid.
What is the SMILES notation for (2R)-2-(cyclopentylmethyl)-3-methylidenebutanedioic acid?
The canonical SMILES for (2R)-2-(cyclopentylmethyl)-3-methylidenebutanedioic acid is C=C(C(=O)O)C(CC1CCCC1)C(=O)O.
What is the InChIKey of (2R)-2-(cyclopentylmethyl)-3-methylidenebutanedioic acid?
The InChIKey is WTLNHUJREGKUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-7(10(12)13)9(11(14)15)6-8-4-2-3-5-8/h8-9H,1-6H2,(H,12,13)(H,14,15).
What are the key properties of (2R)-2-(cyclopentylmethyl)-3-methylidenebutanedioic acid?
(2R)-2-(cyclopentylmethyl)-3-methylidenebutanedioic acid has a molecular weight of 212.24 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopentylmethyl)-3-methylidenebutanedioic acid is sourced from PubChem (CID 57007791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).