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

C12H23N3O7 — CID 66938353

IUPAC2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESNCC(=O)O.O=C(O)[C@@H]1CCCN1.O=C(O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C5H9NO3.C5H9NO2.C2H5NO2/c7-3-1-4(5(8)9)6-2-3;7-5(8)4-2-1-3-6-4;3-1-2(4)5/h3-4,6-7H,1-2H2,(H,8,9);4,6H,1-3H2,(H,7,8);1,3H2,(H,4,5)/t3-,4+;4-;/m10./s1
InChIKeyUVJWCNFWEYPYSP-SNKMQCGQSA-N
MW321.33 g/mol
LogP-2.35
Rot. Bonds3

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

2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 66938353) has the molecular formula C12H23N3O7 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID66938353
Molecular FormulaC12H23N3O7
Molecular Weight321.33 g/mol
Exact Mass321.15
IUPAC Name2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESNCC(=O)O.O=C(O)[C@@H]1CCCN1.O=C(O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C5H9NO3.C5H9NO2.C2H5NO2/c7-3-1-4(5(8)9)6-2-3;7-5(8)4-2-1-3-6-4;3-1-2(4)5/h3-4,6-7H,1-2H2,(H,8,9);4,6H,1-3H2,(H,7,8);1,3H2,(H,4,5)/t3-,4+;4-;/m10./s1
InChIKeyUVJWCNFWEYPYSP-SNKMQCGQSA-N
XLogP-2.35
TPSA182.21 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.33
LogP ≤ 5-2.35
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Related Compounds

tris(2-aminoacetic acid);(2S)-2-aminopropanoic acid;(2S)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70541638
2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
CID 67068644
2-aminoacetic acid;bis(pyrrolidine-2-carboxylic acid)
CID 23506507
2-aminoacetic acid;2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174464534
(2S,5S)-1,4-diazocane-2,5-dicarboxylic acid
CID 71263287
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 11205991
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
(2S)-pyrrolidine-2-carboxylic acid;urea
CID 11629677
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydroxysilane
CID 131716757

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid (CID 66938353) is 2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid is NCC(=O)O.O=C(O)[C@@H]1CCCN1.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;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is UVJWCNFWEYPYSP-SNKMQCGQSA-N. The full InChI is InChI=1S/C5H9NO3.C5H9NO2.C2H5NO2/c7-3-1-4(5(8)9)6-2-3;7-5(8)4-2-1-3-6-4;3-1-2(4)5/h3-4,6-7H,1-2H2,(H,8,9);4,6H,1-3H2,(H,7,8);1,3H2,(H,4,5)/t3-,4+;4-;/m10./s1.
What are the key properties of 2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid?
2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 321.33 g/mol, XLogP of -2.35, 3 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 66938353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).