(2S)-1-butoxycarbonylpyrrolidine-2-carboxylic acid

C10H17NO4 — CID 10976836

IUPAC(2S)-1-butoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCCCCOC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C10H17NO4/c1-2-3-7-15-10(14)11-6-4-5-8(11)9(12)13/h8H,2-7H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyCNWWORPVLFEICZ-QMMMGPOBSA-N
MW215.25 g/mol
LogP1.47
Rot. Bonds4

About (2S)-1-butoxycarbonylpyrrolidine-2-carboxylic acid

(2S)-1-butoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 10976836) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2S)-1-butoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-butoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID10976836
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(2S)-1-butoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCCCCOC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C10H17NO4/c1-2-3-7-15-10(14)11-6-4-5-8(11)9(12)13/h8H,2-7H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyCNWWORPVLFEICZ-QMMMGPOBSA-N
XLogP1.47
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-butoxycarbonylpiperidine-2-carboxylic acid
CID 70196600
(2R)-1-butoxycarbonylazetidine-2-carboxylic acid
CID 69461964
(2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 1263680
1-O-butyl 2-O-dodecyl pyrrolidine-1,2-dicarboxylate
CID 6424636
1-O-butyl 2-O-tetradecyl piperidine-1,2-dicarboxylate
CID 91728540
butyl 2-formylpyrrolidine-1-carboxylate
CID 54059986
1-O-(2-methoxyethyl) 2-O-octadecyl pyrrolidine-1,2-dicarboxylate
CID 91725946
(2R)-1-nonanoylpyrrolidine-2-carboxylic acid
CID 69287146
CID 160598111
CID 160598111
butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate
CID 142779221
2-O-octyl 1-O-propyl piperidine-1,2-dicarboxylate
CID 91725615
butane;ethane;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 145080394

Frequently Asked Questions

What is the IUPAC name of (2S)-1-butoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-butoxycarbonylpyrrolidine-2-carboxylic acid (CID 10976836) is (2S)-1-butoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-butoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-butoxycarbonylpyrrolidine-2-carboxylic acid is CCCCOC(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-butoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is CNWWORPVLFEICZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-3-7-15-10(14)11-6-4-5-8(11)9(12)13/h8H,2-7H2,1H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-1-butoxycarbonylpyrrolidine-2-carboxylic acid?
(2S)-1-butoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-butoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 10976836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).