2-cyclopropyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetic acid

C11H13N3O4 — CID 79173611

IUPAC2-cyclopropyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetic acid
SMILESCc1cc(NC(C(=O)O)C2CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H13N3O4/c1-6-4-9(12-5-8(6)14(17)18)13-10(11(15)16)7-2-3-7/h4-5,7,10H,2-3H2,1H3,(H,12,13)(H,15,16)
InChIKeySWAYIHXADSURPB-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.57
Rot. Bonds5

About 2-cyclopropyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetic acid

2-cyclopropyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetic acid (PubChem CID 79173611) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetic acid
PubChem CID79173611
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-cyclopropyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetic acid
SMILESCc1cc(NC(C(=O)O)C2CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H13N3O4/c1-6-4-9(12-5-8(6)14(17)18)13-10(11(15)16)7-2-3-7/h4-5,7,10H,2-3H2,1H3,(H,12,13)(H,15,16)
InChIKeySWAYIHXADSURPB-UHFFFAOYSA-N
XLogP1.57
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetic acid (CID 79173611) is 2-cyclopropyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetic acid is Cc1cc(NC(C(=O)O)C2CC2)ncc1[N+](=O)[O-].
What is the InChIKey of 2-cyclopropyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetic acid?
The InChIKey is SWAYIHXADSURPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-6-4-9(12-5-8(6)14(17)18)13-10(11(15)16)7-2-3-7/h4-5,7,10H,2-3H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 2-cyclopropyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetic acid?
2-cyclopropyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetic acid has a molecular weight of 251.24 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetic acid is sourced from PubChem (CID 79173611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).