2-aminoacetic acid;2,5-diamino-5-oxopentanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid

C12H24N4O8 — CID 175565285

IUPAC2-aminoacetic acid;2,5-diamino-5-oxopentanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNC(=O)CCC(N)C(=O)O.NCC(=O)O.O=C(O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C5H10N2O3.C5H9NO3.C2H5NO2/c6-3(5(9)10)1-2-4(7)8;7-3-1-4(5(8)9)6-2-3;3-1-2(4)5/h3H,1-2,6H2,(H2,7,8)(H,9,10);3-4,6-7H,1-2H2,(H,8,9);1,3H2,(H,4,5)/t;3-,4+;/m.1./s1
InChIKeyNJFITDAVFDHJIA-VTLCRGIUSA-N
MW352.34 g/mol
LogP-3.51
Rot. Bonds6

About 2-aminoacetic acid;2,5-diamino-5-oxopentanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid

2-aminoacetic acid;2,5-diamino-5-oxopentanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 175565285) has the molecular formula C12H24N4O8 and a molecular weight of 352.34 g/mol. Its IUPAC name is 2-aminoacetic acid;2,5-diamino-5-oxopentanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-aminoacetic acid;2,5-diamino-5-oxopentanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID175565285
Molecular FormulaC12H24N4O8
Molecular Weight352.34 g/mol
Exact Mass352.16
IUPAC Name2-aminoacetic acid;2,5-diamino-5-oxopentanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNC(=O)CCC(N)C(=O)O.NCC(=O)O.O=C(O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C5H10N2O3.C5H9NO3.C2H5NO2/c6-3(5(9)10)1-2-4(7)8;7-3-1-4(5(8)9)6-2-3;3-1-2(4)5/h3H,1-2,6H2,(H2,7,8)(H,9,10);3-4,6-7H,1-2H2,(H,8,9);1,3H2,(H,4,5)/t;3-,4+;/m.1./s1
InChIKeyNJFITDAVFDHJIA-VTLCRGIUSA-N
XLogP-3.51
TPSA239.29 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.34
LogP ≤ 5-3.51
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 2-aminoacetic acid;2,5-diamino-5-oxopentanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
CID 67068644
tris(2-aminoacetic acid);(2S)-2-aminopropanoic acid;(2S)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70541638
2,5-diamino-5-oxopentanoic acid;pyrrolidine-2-carboxylic acid
CID 22268904
2-aminoacetic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 66938353
(2S)-2-amino-3-phenylpropanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
CID 159230149
2-aminobutanedioic acid;6-amino-2-(hydroxyamino)hexanoic acid;4-hydroxypyrrolidine-2-carboxylic acid
CID 174439322
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 11205991
2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-diamino-5-oxopentanoic acid
CID 738
2-aminoacetic acid;2-amino-3-sulfanylpropanoic acid;2,5-diamino-5-oxopentanoic acid
CID 22595067
2-amino-3-(1H-imidazol-5-yl)propanoic acid;2,6-diaminohexanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
CID 174815997

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2,5-diamino-5-oxopentanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 2-aminoacetic acid;2,5-diamino-5-oxopentanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid (CID 175565285) is 2-aminoacetic acid;2,5-diamino-5-oxopentanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-aminoacetic acid;2,5-diamino-5-oxopentanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-aminoacetic acid;2,5-diamino-5-oxopentanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid is NC(=O)CCC(N)C(=O)O.NCC(=O)O.O=C(O)[C@@H]1C[C@@H](O)CN1.
What is the InChIKey of 2-aminoacetic acid;2,5-diamino-5-oxopentanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is NJFITDAVFDHJIA-VTLCRGIUSA-N. The full InChI is InChI=1S/C5H10N2O3.C5H9NO3.C2H5NO2/c6-3(5(9)10)1-2-4(7)8;7-3-1-4(5(8)9)6-2-3;3-1-2(4)5/h3H,1-2,6H2,(H2,7,8)(H,9,10);3-4,6-7H,1-2H2,(H,8,9);1,3H2,(H,4,5)/t;3-,4+;/m.1./s1.
What are the key properties of 2-aminoacetic acid;2,5-diamino-5-oxopentanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid?
2-aminoacetic acid;2,5-diamino-5-oxopentanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 352.34 g/mol, XLogP of -3.51, 6 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;2,5-diamino-5-oxopentanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 175565285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).