(2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid

C14H23NO4 — CID 58999668

IUPAC(2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid
SMILESO=C(O)C(CC(=O)N1CCOCC1)CC1CCCC1
InChIInChI=1S/C14H23NO4/c16-13(15-5-7-19-8-6-15)10-12(14(17)18)9-11-3-1-2-4-11/h11-12H,1-10H2,(H,17,18)
InChIKeyOPFZJVACVWDKIB-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.52
Rot. Bonds5

About (2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid

(2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid (PubChem CID 58999668) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid
PubChem CID58999668
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name(2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid
SMILESO=C(O)C(CC(=O)N1CCOCC1)CC1CCCC1
InChIInChI=1S/C14H23NO4/c16-13(15-5-7-19-8-6-15)10-12(14(17)18)9-11-3-1-2-4-11/h11-12H,1-10H2,(H,17,18)
InChIKeyOPFZJVACVWDKIB-UHFFFAOYSA-N
XLogP1.52
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid?
The IUPAC name of (2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid (CID 58999668) is (2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid.
What is the SMILES notation for (2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid?
The canonical SMILES for (2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid is O=C(O)C(CC(=O)N1CCOCC1)CC1CCCC1.
What is the InChIKey of (2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid?
The InChIKey is OPFZJVACVWDKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c16-13(15-5-7-19-8-6-15)10-12(14(17)18)9-11-3-1-2-4-11/h11-12H,1-10H2,(H,17,18).
What are the key properties of (2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid?
(2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid has a molecular weight of 269.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid is sourced from PubChem (CID 58999668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).