[5-[(2-aminoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl phosphate

C7H13N2O8P-2 — CID 3490

IUPAC[5-[(2-aminoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl phosphate
SMILESNCC(=O)NC1OC(COP(=O)([O-])[O-])C(O)C1O
InChIInChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)/p-2
InChIKeyOBQMLSFOUZUIOB-UHFFFAOYSA-L
MW284.16 g/mol
LogP-4.65
Rot. Bonds5

About [5-[(2-aminoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl phosphate

[5-[(2-aminoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl phosphate (PubChem CID 3490) has the molecular formula C7H13N2O8P-2 and a molecular weight of 284.16 g/mol. Its IUPAC name is [5-[(2-aminoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl phosphate.

Molecular Properties

Compound Name[5-[(2-aminoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl phosphate
PubChem CID3490
Molecular FormulaC7H13N2O8P-2
Molecular Weight284.16 g/mol
Exact Mass284.04
IUPAC Name[5-[(2-aminoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl phosphate
SMILESNCC(=O)NC1OC(COP(=O)([O-])[O-])C(O)C1O
InChIInChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)/p-2
InChIKeyOBQMLSFOUZUIOB-UHFFFAOYSA-L
XLogP-4.65
TPSA177.23 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 5-4.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]acetamide;hydrochloride
CID 171381064
[(2R,3S,4R)-3,4,5-trihydroxy(413C)oxolan-2-yl]methyl phosphate
CID 24794356
disodium;[(2S,3R,4R,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 171380674
disodium;[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 45052218
[(2R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 51351673
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 23421199
[(2R,3R,4S,5S)-5-[(2-formamidoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 163067864
barium(2+);[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl phosphate;hydrate
CID 45047075
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl phosphate
CID 90659314
dilithium;[5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
CID 57369811
sodium (5-acetamido-3,4,6-trihydroxyoxan-2-yl)methyl hydrogen phosphate
CID 163304471
[3,4-dihydroxy-5-[hydroxy(phosphonooxy)phosphoryl]oxyoxolan-2-yl]methyl phosphate
CID 171319492

Frequently Asked Questions

What is the IUPAC name of [5-[(2-aminoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl phosphate?
The IUPAC name of [5-[(2-aminoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl phosphate (CID 3490) is [5-[(2-aminoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl phosphate.
What is the SMILES notation for [5-[(2-aminoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl phosphate?
The canonical SMILES for [5-[(2-aminoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl phosphate is NCC(=O)NC1OC(COP(=O)([O-])[O-])C(O)C1O.
What is the InChIKey of [5-[(2-aminoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl phosphate?
The InChIKey is OBQMLSFOUZUIOB-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)/p-2.
What are the key properties of [5-[(2-aminoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl phosphate?
[5-[(2-aminoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl phosphate has a molecular weight of 284.16 g/mol, XLogP of -4.65, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-aminoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl phosphate is sourced from PubChem (CID 3490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).