(2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetic acid

C15H25NO3 — CID 178086649

IUPAC(2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetic acid
SMILESO=C(O)[C@H](C1CCCC1)N1CCC[C@@H]1[C@@H]1CCCO1
InChIInChI=1S/C15H25NO3/c17-15(18)14(11-5-1-2-6-11)16-9-3-7-12(16)13-8-4-10-19-13/h11-14H,1-10H2,(H,17,18)/t12-,13+,14+/m1/s1
InChIKeyDPKBAAKZSNJNKJ-RDBSUJKOSA-N
MW267.37 g/mol
LogP2.27
Rot. Bonds4

About (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetic acid

(2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetic acid (PubChem CID 178086649) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetic acid
PubChem CID178086649
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetic acid
SMILESO=C(O)[C@H](C1CCCC1)N1CCC[C@@H]1[C@@H]1CCCO1
InChIInChI=1S/C15H25NO3/c17-15(18)14(11-5-1-2-6-11)16-9-3-7-12(16)13-8-4-10-19-13/h11-14H,1-10H2,(H,17,18)/t12-,13+,14+/m1/s1
InChIKeyDPKBAAKZSNJNKJ-RDBSUJKOSA-N
XLogP2.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetic acid?
The IUPAC name of (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetic acid (CID 178086649) is (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetic acid?
The canonical SMILES for (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetic acid is O=C(O)[C@H](C1CCCC1)N1CCC[C@@H]1[C@@H]1CCCO1.
What is the InChIKey of (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetic acid?
The InChIKey is DPKBAAKZSNJNKJ-RDBSUJKOSA-N. The full InChI is InChI=1S/C15H25NO3/c17-15(18)14(11-5-1-2-6-11)16-9-3-7-12(16)13-8-4-10-19-13/h11-14H,1-10H2,(H,17,18)/t12-,13+,14+/m1/s1.
What are the key properties of (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetic acid?
(2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetic acid has a molecular weight of 267.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 178086649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).