(2S,4R)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid

C7H12N2O4 — CID 11862108

IUPAC(2S,4R)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNCC(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C7H12N2O4/c8-2-6(11)9-3-4(10)1-5(9)7(12)13/h4-5,10H,1-3,8H2,(H,12,13)/t4-,5+/m1/s1
InChIKeyZJQXGJBINIMBOY-UHNVWZDZSA-N
MW188.18 g/mol
LogP-2.01
Rot. Bonds2

About (2S,4R)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 11862108) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is (2S,4R)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID11862108
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name(2S,4R)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNCC(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C7H12N2O4/c8-2-6(11)9-3-4(10)1-5(9)7(12)13/h4-5,10H,1-3,8H2,(H,12,13)/t4-,5+/m1/s1
InChIKeyZJQXGJBINIMBOY-UHNVWZDZSA-N
XLogP-2.01
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-2.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 11862108) is (2S,4R)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid is NCC(=O)N1C[C@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is ZJQXGJBINIMBOY-UHNVWZDZSA-N. The full InChI is InChI=1S/C7H12N2O4/c8-2-6(11)9-3-4(10)1-5(9)7(12)13/h4-5,10H,1-3,8H2,(H,12,13)/t4-,5+/m1/s1.
What are the key properties of (2S,4R)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 188.18 g/mol, XLogP of -2.01, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 11862108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).