(2R,4S)-5-(1-amino-2-methoxy-2-methylbutyl)-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid

C14H26N2O3 — CID 59911040

IUPAC(2R,4S)-5-(1-amino-2-methoxy-2-methylbutyl)-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid
SMILESC/C=C\[C@@H]1C[C@H](C(=O)O)NC1C(N)C(C)(CC)OC
InChIInChI=1S/C14H26N2O3/c1-5-7-9-8-10(13(17)18)16-11(9)12(15)14(3,6-2)19-4/h5,7,9-12,16H,6,8,15H2,1-4H3,(H,17,18)/b7-5-/t9-,10-,11?,12?,14?/m1/s1
InChIKeyRIKOXWKDYOTWDX-IRINHKIXSA-N
MW270.37 g/mol
LogP1.14
Rot. Bonds6

About (2R,4S)-5-(1-amino-2-methoxy-2-methylbutyl)-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid

(2R,4S)-5-(1-amino-2-methoxy-2-methylbutyl)-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid (PubChem CID 59911040) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2R,4S)-5-(1-amino-2-methoxy-2-methylbutyl)-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-5-(1-amino-2-methoxy-2-methylbutyl)-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid
PubChem CID59911040
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2R,4S)-5-(1-amino-2-methoxy-2-methylbutyl)-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid
SMILESC/C=C\[C@@H]1C[C@H](C(=O)O)NC1C(N)C(C)(CC)OC
InChIInChI=1S/C14H26N2O3/c1-5-7-9-8-10(13(17)18)16-11(9)12(15)14(3,6-2)19-4/h5,7,9-12,16H,6,8,15H2,1-4H3,(H,17,18)/b7-5-/t9-,10-,11?,12?,14?/m1/s1
InChIKeyRIKOXWKDYOTWDX-IRINHKIXSA-N
XLogP1.14
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-5-(1-amino-2-methoxy-2-methylbutyl)-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-5-(1-amino-2-methoxy-2-methylbutyl)-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid (CID 59911040) is (2R,4S)-5-(1-amino-2-methoxy-2-methylbutyl)-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-5-(1-amino-2-methoxy-2-methylbutyl)-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-5-(1-amino-2-methoxy-2-methylbutyl)-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid is C/C=C\[C@@H]1C[C@H](C(=O)O)NC1C(N)C(C)(CC)OC.
What is the InChIKey of (2R,4S)-5-(1-amino-2-methoxy-2-methylbutyl)-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid?
The InChIKey is RIKOXWKDYOTWDX-IRINHKIXSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-7-9-8-10(13(17)18)16-11(9)12(15)14(3,6-2)19-4/h5,7,9-12,16H,6,8,15H2,1-4H3,(H,17,18)/b7-5-/t9-,10-,11?,12?,14?/m1/s1.
What are the key properties of (2R,4S)-5-(1-amino-2-methoxy-2-methylbutyl)-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid?
(2R,4S)-5-(1-amino-2-methoxy-2-methylbutyl)-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-5-(1-amino-2-methoxy-2-methylbutyl)-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 59911040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).