(2S)-1-butoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid

C10H15NO5 — CID 22868485

IUPAC(2S)-1-butoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid
SMILESCCCCOC(=O)N1C(=O)CC[C@H]1C(=O)O
InChIInChI=1S/C10H15NO5/c1-2-3-6-16-10(15)11-7(9(13)14)4-5-8(11)12/h7H,2-6H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyUAPJBIQLNNAMTM-ZETCQYMHSA-N
MW229.23 g/mol
LogP1.00
Rot. Bonds4

About (2S)-1-butoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid

(2S)-1-butoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 22868485) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is (2S)-1-butoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-butoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid
PubChem CID22868485
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name(2S)-1-butoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid
SMILESCCCCOC(=O)N1C(=O)CC[C@H]1C(=O)O
InChIInChI=1S/C10H15NO5/c1-2-3-6-16-10(15)11-7(9(13)14)4-5-8(11)12/h7H,2-6H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyUAPJBIQLNNAMTM-ZETCQYMHSA-N
XLogP1.00
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-butoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-butoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid (CID 22868485) is (2S)-1-butoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-butoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-butoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid is CCCCOC(=O)N1C(=O)CC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-butoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is UAPJBIQLNNAMTM-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15NO5/c1-2-3-6-16-10(15)11-7(9(13)14)4-5-8(11)12/h7H,2-6H2,1H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-1-butoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid?
(2S)-1-butoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 229.23 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-butoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 22868485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).