2,3-dihydroxy-3-(2-methyl-5-nitro-1H-imidazol-4-yl)propanamide

C7H10N4O5 — CID 171868304

IUPAC2,3-dihydroxy-3-(2-methyl-5-nitro-1H-imidazol-4-yl)propanamide
SMILESCc1nc(C(O)C(O)C(N)=O)c([N+](=O)[O-])[nH]1
InChIInChI=1S/C7H10N4O5/c1-2-9-3(7(10-2)11(15)16)4(12)5(13)6(8)14/h4-5,12-13H,1H3,(H2,8,14)(H,9,10)
InChIKeyZXVCBCDKPABIHJ-UHFFFAOYSA-N
MW230.18 g/mol
LogP-1.49
Rot. Bonds4

About 2,3-dihydroxy-3-(2-methyl-5-nitro-1H-imidazol-4-yl)propanamide

2,3-dihydroxy-3-(2-methyl-5-nitro-1H-imidazol-4-yl)propanamide (PubChem CID 171868304) has the molecular formula C7H10N4O5 and a molecular weight of 230.18 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(2-methyl-5-nitro-1H-imidazol-4-yl)propanamide.

Molecular Properties

Compound Name2,3-dihydroxy-3-(2-methyl-5-nitro-1H-imidazol-4-yl)propanamide
PubChem CID171868304
Molecular FormulaC7H10N4O5
Molecular Weight230.18 g/mol
Exact Mass230.07
IUPAC Name2,3-dihydroxy-3-(2-methyl-5-nitro-1H-imidazol-4-yl)propanamide
SMILESCc1nc(C(O)C(O)C(N)=O)c([N+](=O)[O-])[nH]1
InChIInChI=1S/C7H10N4O5/c1-2-9-3(7(10-2)11(15)16)4(12)5(13)6(8)14/h4-5,12-13H,1H3,(H2,8,14)(H,9,10)
InChIKeyZXVCBCDKPABIHJ-UHFFFAOYSA-N
XLogP-1.49
TPSA155.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[2,3-dihydroxy-3-(2-methyl-5-nitro-1H-imidazol-4-yl)propyl]carbamate
CID 171856062
2,4-dimethyl-5-nitro-1H-imidazole
CID 135554430
2-methyl-5-nitro-1H-imidazole-4-thiol
CID 3628941
2,3-dihydroxy-3-(3-methyl-2-nitrophenyl)propanamide
CID 171868640
1-chloro-3-(2-methyl-5-nitro-1H-imidazol-4-yl)propan-2-ol;hydrochloride
CID 175367446
2,3-dihydroxy-3-(4-nitrophenyl)propanamide
CID 171868264
3-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]propane-1,2-diol
CID 3100200
2,3-dihydroxy-3-(5-nitro-1H-imidazol-4-yl)propanoic acid
CID 170823780
ethyl 3-(2-methyl-5-nitro-1H-imidazol-4-yl)prop-2-enoate
CID 169480435
3-(2-methyl-5-nitro-1H-imidazol-4-yl)prop-2-en-1-amine
CID 169463672
ethyl 3,4-dihydroxy-4-(5-nitro-1H-imidazol-4-yl)butanoate
CID 171897193
2-methyl-5-nitro-4-(oxiran-2-ylmethyl)-1H-imidazole
CID 175965358

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(2-methyl-5-nitro-1H-imidazol-4-yl)propanamide?
The IUPAC name of 2,3-dihydroxy-3-(2-methyl-5-nitro-1H-imidazol-4-yl)propanamide (CID 171868304) is 2,3-dihydroxy-3-(2-methyl-5-nitro-1H-imidazol-4-yl)propanamide.
What is the SMILES notation for 2,3-dihydroxy-3-(2-methyl-5-nitro-1H-imidazol-4-yl)propanamide?
The canonical SMILES for 2,3-dihydroxy-3-(2-methyl-5-nitro-1H-imidazol-4-yl)propanamide is Cc1nc(C(O)C(O)C(N)=O)c([N+](=O)[O-])[nH]1.
What is the InChIKey of 2,3-dihydroxy-3-(2-methyl-5-nitro-1H-imidazol-4-yl)propanamide?
The InChIKey is ZXVCBCDKPABIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O5/c1-2-9-3(7(10-2)11(15)16)4(12)5(13)6(8)14/h4-5,12-13H,1H3,(H2,8,14)(H,9,10).
What are the key properties of 2,3-dihydroxy-3-(2-methyl-5-nitro-1H-imidazol-4-yl)propanamide?
2,3-dihydroxy-3-(2-methyl-5-nitro-1H-imidazol-4-yl)propanamide has a molecular weight of 230.18 g/mol, XLogP of -1.49, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(2-methyl-5-nitro-1H-imidazol-4-yl)propanamide is sourced from PubChem (CID 171868304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).