(1E)-1-[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,5-dioxoimidazolidin-4-ylidene]guanidine

C9H13N5O5 — CID 177462805

IUPAC(1E)-1-[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,5-dioxoimidazolidin-4-ylidene]guanidine
SMILES[H]/N=C(N)/N=C1\C(=O)NC(=O)N1[C@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C9H13N5O5/c10-8(11)12-6-7(17)13-9(18)14(6)5-1-3(16)4(2-15)19-5/h3-5,15-16H,1-2H2,(H3,10,11)(H,13,17,18)/b12-6+/t3-,4+,5+/m0/s1
InChIKeyGNUPLVXMHRLKOX-SPZOUDFDSA-N
MW271.23 g/mol
LogP-2.70
Rot. Bonds2

About (1E)-1-[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,5-dioxoimidazolidin-4-ylidene]guanidine

(1E)-1-[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,5-dioxoimidazolidin-4-ylidene]guanidine (PubChem CID 177462805) has the molecular formula C9H13N5O5 and a molecular weight of 271.23 g/mol. Its IUPAC name is (1E)-1-[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,5-dioxoimidazolidin-4-ylidene]guanidine.

Molecular Properties

Compound Name(1E)-1-[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,5-dioxoimidazolidin-4-ylidene]guanidine
PubChem CID177462805
Molecular FormulaC9H13N5O5
Molecular Weight271.23 g/mol
Exact Mass271.09
IUPAC Name(1E)-1-[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,5-dioxoimidazolidin-4-ylidene]guanidine
SMILES[H]/N=C(N)/N=C1\C(=O)NC(=O)N1[C@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C9H13N5O5/c10-8(11)12-6-7(17)13-9(18)14(6)5-1-3(16)4(2-15)19-5/h3-5,15-16H,1-2H2,(H3,10,11)(H,13,17,18)/b12-6+/t3-,4+,5+/m0/s1
InChIKeyGNUPLVXMHRLKOX-SPZOUDFDSA-N
XLogP-2.70
TPSA161.33 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 5-2.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (1E)-1-[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,5-dioxoimidazolidin-4-ylidene]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-iminopurine-6,8-dione
CID 157423768
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-sulfanylidene-1,3-diazinane-2,4-dione
CID 87928840
1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-sulfanylidene-1,3-diazinane-2,4-dione
CID 87921655
6-amino-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-5-ium-2-one
CID 140732809
4-hydroxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,5-dioxoimidazolidine-4-carboxylic acid
CID 102311303
2-amino-5-hydroxy-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-6,8-dione
CID 101416872
2-hydroxy-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one
CID 21036329
9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-imino-5H-purin-6-one;hydrate
CID 146674704
5-fluoro-2-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-6-one
CID 163880469
3-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-5-methylpyrimidin-2-one
CID 174394569
(4S,5S)-4,5-dihydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxoimidazolidine-1-carboxamide
CID 100968712
(5R)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione
CID 90295344

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,5-dioxoimidazolidin-4-ylidene]guanidine?
The IUPAC name of (1E)-1-[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,5-dioxoimidazolidin-4-ylidene]guanidine (CID 177462805) is (1E)-1-[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,5-dioxoimidazolidin-4-ylidene]guanidine.
What is the SMILES notation for (1E)-1-[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,5-dioxoimidazolidin-4-ylidene]guanidine?
The canonical SMILES for (1E)-1-[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,5-dioxoimidazolidin-4-ylidene]guanidine is [H]/N=C(N)/N=C1\C(=O)NC(=O)N1[C@H]1C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (1E)-1-[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,5-dioxoimidazolidin-4-ylidene]guanidine?
The InChIKey is GNUPLVXMHRLKOX-SPZOUDFDSA-N. The full InChI is InChI=1S/C9H13N5O5/c10-8(11)12-6-7(17)13-9(18)14(6)5-1-3(16)4(2-15)19-5/h3-5,15-16H,1-2H2,(H3,10,11)(H,13,17,18)/b12-6+/t3-,4+,5+/m0/s1.
What are the key properties of (1E)-1-[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,5-dioxoimidazolidin-4-ylidene]guanidine?
(1E)-1-[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,5-dioxoimidazolidin-4-ylidene]guanidine has a molecular weight of 271.23 g/mol, XLogP of -2.70, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,5-dioxoimidazolidin-4-ylidene]guanidine is sourced from PubChem (CID 177462805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).