(2S,4R)-1-[(2S)-2-aminopropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C8H14N2O4 — CID 25227058

IUPAC(2S,4R)-1-[(2S)-2-aminopropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C8H14N2O4/c1-4(9)7(12)10-3-5(11)2-6(10)8(13)14/h4-6,11H,2-3,9H2,1H3,(H,13,14)/t4-,5+,6-/m0/s1
InChIKeyKYHSUPXEBSYFGK-JKUQZMGJSA-N
MW202.21 g/mol
LogP-1.62
Rot. Bonds2

About (2S,4R)-1-[(2S)-2-aminopropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-[(2S)-2-aminopropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 25227058) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is (2S,4R)-1-[(2S)-2-aminopropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-[(2S)-2-aminopropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID25227058
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name(2S,4R)-1-[(2S)-2-aminopropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C8H14N2O4/c1-4(9)7(12)10-3-5(11)2-6(10)8(13)14/h4-6,11H,2-3,9H2,1H3,(H,13,14)/t4-,5+,6-/m0/s1
InChIKeyKYHSUPXEBSYFGK-JKUQZMGJSA-N
XLogP-1.62
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[(2S)-2-aminopropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-[(2S)-2-aminopropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 25227058) is (2S,4R)-1-[(2S)-2-aminopropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-[(2S)-2-aminopropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-[(2S)-2-aminopropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid is C[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-1-[(2S)-2-aminopropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is KYHSUPXEBSYFGK-JKUQZMGJSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-4(9)7(12)10-3-5(11)2-6(10)8(13)14/h4-6,11H,2-3,9H2,1H3,(H,13,14)/t4-,5+,6-/m0/s1.
What are the key properties of (2S,4R)-1-[(2S)-2-aminopropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-[(2S)-2-aminopropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of -1.62, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[(2S)-2-aminopropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 25227058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).