2-aminoacetic acid;[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid

C7H17N2O9P — CID 162021414

IUPAC2-aminoacetic acid;[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid
SMILESNCC(=O)O.O=P(O)(O)NC1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C5H12NO7P.C2H5NO2/c7-1-2-3(8)4(9)5(13-2)6-14(10,11)12;3-1-2(4)5/h2-5,7-9H,1H2,(H3,6,10,11,12);1,3H2,(H,4,5)/t2-,3-,4-,5?;/m1./s1
InChIKeyYUUJLFRVEQJOOM-QHEAFLAXSA-N
MW304.19 g/mol
LogP-3.86
Rot. Bonds4

About 2-aminoacetic acid;[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid

2-aminoacetic acid;[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid (PubChem CID 162021414) has the molecular formula C7H17N2O9P and a molecular weight of 304.19 g/mol. Its IUPAC name is 2-aminoacetic acid;[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid.

Molecular Properties

Compound Name2-aminoacetic acid;[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid
PubChem CID162021414
Molecular FormulaC7H17N2O9P
Molecular Weight304.19 g/mol
Exact Mass304.07
IUPAC Name2-aminoacetic acid;[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid
SMILESNCC(=O)O.O=P(O)(O)NC1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C5H12NO7P.C2H5NO2/c7-1-2-3(8)4(9)5(13-2)6-14(10,11)12;3-1-2(4)5/h2-5,7-9H,1H2,(H3,6,10,11,12);1,3H2,(H,4,5)/t2-,3-,4-,5?;/m1./s1
InChIKeyYUUJLFRVEQJOOM-QHEAFLAXSA-N
XLogP-3.86
TPSA202.80 Ų
H-Bond Donors8
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.19
LogP ≤ 5-3.86
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid
CID 57263867
2-amino-N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]acetamide;hydrochloride
CID 171381064
1,3-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]urea
CID 5239774
N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide;phosphoric acid
CID 175895258
(2S)-2-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]butanedioic acid
CID 42597871
2-oxo-2-[2-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]acetamide
CID 7348661
5-oxo-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pentanoic acid
CID 11716276
(2S)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pentanedioic acid
CID 42598110
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;phosphoric acid
CID 66665794
6-oxo-6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]hexanoic acid
CID 69245387
(2S)-2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pentanedioic acid
CID 46881518
N-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
CID 101008642

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid?
The IUPAC name of 2-aminoacetic acid;[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid (CID 162021414) is 2-aminoacetic acid;[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid.
What is the SMILES notation for 2-aminoacetic acid;[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid?
The canonical SMILES for 2-aminoacetic acid;[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid is NCC(=O)O.O=P(O)(O)NC1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of 2-aminoacetic acid;[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid?
The InChIKey is YUUJLFRVEQJOOM-QHEAFLAXSA-N. The full InChI is InChI=1S/C5H12NO7P.C2H5NO2/c7-1-2-3(8)4(9)5(13-2)6-14(10,11)12;3-1-2(4)5/h2-5,7-9H,1H2,(H3,6,10,11,12);1,3H2,(H,4,5)/t2-,3-,4-,5?;/m1./s1.
What are the key properties of 2-aminoacetic acid;[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid?
2-aminoacetic acid;[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid has a molecular weight of 304.19 g/mol, XLogP of -3.86, 4 rotatable bonds, 8 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid is sourced from PubChem (CID 162021414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).