(2S,4S)-1-(4-amino-3-methoxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid

C10H18N2O5 — CID 103156006

IUPAC(2S,4S)-1-(4-amino-3-methoxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCOC(CN)CC(=O)N1C[C@@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C10H18N2O5/c1-17-7(4-11)3-9(14)12-5-6(13)2-8(12)10(15)16/h6-8,13H,2-5,11H2,1H3,(H,15,16)/t6-,7?,8-/m0/s1
InChIKeyHXKJOZAEKBSLKY-PPSBICQBSA-N
MW246.26 g/mol
LogP-1.60
Rot. Bonds5

About (2S,4S)-1-(4-amino-3-methoxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4S)-1-(4-amino-3-methoxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 103156006) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2S,4S)-1-(4-amino-3-methoxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-1-(4-amino-3-methoxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID103156006
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name(2S,4S)-1-(4-amino-3-methoxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCOC(CN)CC(=O)N1C[C@@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C10H18N2O5/c1-17-7(4-11)3-9(14)12-5-6(13)2-8(12)10(15)16/h6-8,13H,2-5,11H2,1H3,(H,15,16)/t6-,7?,8-/m0/s1
InChIKeyHXKJOZAEKBSLKY-PPSBICQBSA-N
XLogP-1.60
TPSA113.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(4-amino-3-methoxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-1-(4-amino-3-methoxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 103156006) is (2S,4S)-1-(4-amino-3-methoxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-1-(4-amino-3-methoxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-1-(4-amino-3-methoxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid is COC(CN)CC(=O)N1C[C@@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4S)-1-(4-amino-3-methoxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is HXKJOZAEKBSLKY-PPSBICQBSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-17-7(4-11)3-9(14)12-5-6(13)2-8(12)10(15)16/h6-8,13H,2-5,11H2,1H3,(H,15,16)/t6-,7?,8-/m0/s1.
What are the key properties of (2S,4S)-1-(4-amino-3-methoxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4S)-1-(4-amino-3-methoxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 246.26 g/mol, XLogP of -1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(4-amino-3-methoxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 103156006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).