2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid

C7H14N2O5 — CID 67068644

IUPAC2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNCC(=O)O.O=C(O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C5H9NO3.C2H5NO2/c7-3-1-4(5(8)9)6-2-3;3-1-2(4)5/h3-4,6-7H,1-2H2,(H,8,9);1,3H2,(H,4,5)/t3-,4+;/m1./s1
InChIKeyDDRAYWXTTWQAEA-HJXLNUONSA-N
MW206.20 g/mol
LogP-2.18
Rot. Bonds2

About 2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid

2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 67068644) has the molecular formula C7H14N2O5 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID67068644
Molecular FormulaC7H14N2O5
Molecular Weight206.20 g/mol
Exact Mass206.09
IUPAC Name2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNCC(=O)O.O=C(O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C5H9NO3.C2H5NO2/c7-3-1-4(5(8)9)6-2-3;3-1-2(4)5/h3-4,6-7H,1-2H2,(H,8,9);1,3H2,(H,4,5)/t3-,4+;/m1./s1
InChIKeyDDRAYWXTTWQAEA-HJXLNUONSA-N
XLogP-2.18
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-2.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid (CID 67068644) is 2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid is NCC(=O)O.O=C(O)[C@@H]1C[C@@H](O)CN1.
What is the InChIKey of 2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is DDRAYWXTTWQAEA-HJXLNUONSA-N. The full InChI is InChI=1S/C5H9NO3.C2H5NO2/c7-3-1-4(5(8)9)6-2-3;3-1-2(4)5/h3-4,6-7H,1-2H2,(H,8,9);1,3H2,(H,4,5)/t3-,4+;/m1./s1.
What are the key properties of 2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid?
2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of -2.18, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67068644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).