3-amino-1-(2,3-dimethyl-5-nitroimidazol-4-yl)pyrrolidine-3-carboxylic acid

C10H15N5O4 — CID 107325464

IUPAC3-amino-1-(2,3-dimethyl-5-nitroimidazol-4-yl)pyrrolidine-3-carboxylic acid
SMILESCc1nc([N+](=O)[O-])c(N2CCC(N)(C(=O)O)C2)n1C
InChIInChI=1S/C10H15N5O4/c1-6-12-7(15(18)19)8(13(6)2)14-4-3-10(11,5-14)9(16)17/h3-5,11H2,1-2H3,(H,16,17)
InChIKeyMODBGOPMULZXNS-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.37
Rot. Bonds3

About 3-amino-1-(2,3-dimethyl-5-nitroimidazol-4-yl)pyrrolidine-3-carboxylic acid

3-amino-1-(2,3-dimethyl-5-nitroimidazol-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 107325464) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-amino-1-(2,3-dimethyl-5-nitroimidazol-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(2,3-dimethyl-5-nitroimidazol-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID107325464
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name3-amino-1-(2,3-dimethyl-5-nitroimidazol-4-yl)pyrrolidine-3-carboxylic acid
SMILESCc1nc([N+](=O)[O-])c(N2CCC(N)(C(=O)O)C2)n1C
InChIInChI=1S/C10H15N5O4/c1-6-12-7(15(18)19)8(13(6)2)14-4-3-10(11,5-14)9(16)17/h3-5,11H2,1-2H3,(H,16,17)
InChIKeyMODBGOPMULZXNS-UHFFFAOYSA-N
XLogP-0.37
TPSA127.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-ethylpiperidine-4-carboxylic acid
CID 103554602
3-amino-1-(3-methyl-5-nitroimidazol-4-yl)pyrrolidine-3-carboxylic acid
CID 107325469
3-amino-1-(5-nitropyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325477
1-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]cyclopropane-1-carboxylic acid
CID 103554633
1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-methylpyrrolidin-3-amine
CID 103577754
1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-methylpiperidine-2-carboxylic acid
CID 103554699
3-amino-1-(5-cyano-3-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325463
3-amino-1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidine-3-carboxylic acid
CID 107325400
[4-(2,3-dimethyl-5-nitroimidazol-4-yl)morpholin-2-yl]methanol
CID 113251748
1-[1-(2,3-dimethyl-5-nitroimidazol-4-yl)azetidin-3-yl]piperazine
CID 103555034
3-amino-1-(3-ethoxy-5-nitrophenyl)pyrrolidine-3-carboxylic acid
CID 107325385
3-amino-1-(3-cyano-4-nitrophenyl)pyrrolidine-3-carboxylic acid
CID 107325343

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,3-dimethyl-5-nitroimidazol-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(2,3-dimethyl-5-nitroimidazol-4-yl)pyrrolidine-3-carboxylic acid (CID 107325464) is 3-amino-1-(2,3-dimethyl-5-nitroimidazol-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(2,3-dimethyl-5-nitroimidazol-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(2,3-dimethyl-5-nitroimidazol-4-yl)pyrrolidine-3-carboxylic acid is Cc1nc([N+](=O)[O-])c(N2CCC(N)(C(=O)O)C2)n1C.
What is the InChIKey of 3-amino-1-(2,3-dimethyl-5-nitroimidazol-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is MODBGOPMULZXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4/c1-6-12-7(15(18)19)8(13(6)2)14-4-3-10(11,5-14)9(16)17/h3-5,11H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-1-(2,3-dimethyl-5-nitroimidazol-4-yl)pyrrolidine-3-carboxylic acid?
3-amino-1-(2,3-dimethyl-5-nitroimidazol-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,3-dimethyl-5-nitroimidazol-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107325464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).