2-cyclopropyl-2-[(6-nitroquinolin-2-yl)amino]acetic acid

C14H13N3O4 — CID 62697311

IUPAC2-cyclopropyl-2-[(6-nitroquinolin-2-yl)amino]acetic acid
SMILESO=C(O)C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)C1CC1
InChIInChI=1S/C14H13N3O4/c18-14(19)13(8-1-2-8)16-12-6-3-9-7-10(17(20)21)4-5-11(9)15-12/h3-8,13H,1-2H2,(H,15,16)(H,18,19)
InChIKeyYOXRRLIBVUSAAR-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.42
Rot. Bonds5

About 2-cyclopropyl-2-[(6-nitroquinolin-2-yl)amino]acetic acid

2-cyclopropyl-2-[(6-nitroquinolin-2-yl)amino]acetic acid (PubChem CID 62697311) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(6-nitroquinolin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(6-nitroquinolin-2-yl)amino]acetic acid
PubChem CID62697311
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name2-cyclopropyl-2-[(6-nitroquinolin-2-yl)amino]acetic acid
SMILESO=C(O)C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)C1CC1
InChIInChI=1S/C14H13N3O4/c18-14(19)13(8-1-2-8)16-12-6-3-9-7-10(17(20)21)4-5-11(9)15-12/h3-8,13H,1-2H2,(H,15,16)(H,18,19)
InChIKeyYOXRRLIBVUSAAR-UHFFFAOYSA-N
XLogP2.42
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.42
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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Related Compounds

2-cyclopropyl-2-[(5-nitro-2-pyridinyl)amino]acetic acid
CID 62695778
N-(3-ethylpentan-2-yl)-6-nitroquinolin-2-amine
CID 63839044
N-(3-methylpentan-2-yl)-6-nitroquinolin-2-amine
CID 61463580
6-nitro-N-pentan-2-ylquinolin-2-amine
CID 43450883
2-cyclopropyl-2-[(3-nitrobenzoyl)amino]acetic acid
CID 62697230
2-cyclopropyl-2-[(2-fluoro-5-nitrobenzoyl)amino]acetic acid
CID 62694999
N-(1-methylcyclopropyl)-6-nitroquinolin-2-amine
CID 113485576
6-nitro-N-(1-piperidin-1-ylpropan-2-yl)quinolin-2-amine
CID 133273649
2-cyclopropyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetic acid
CID 79173611
cyclopentyl-[3-[(6-nitroquinolin-2-yl)amino]pyrrolidin-1-yl]methanone
CID 133366889
N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 43450811
6-nitro-N-propylquinolin-2-amine
CID 43450859

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(6-nitroquinolin-2-yl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(6-nitroquinolin-2-yl)amino]acetic acid (CID 62697311) is 2-cyclopropyl-2-[(6-nitroquinolin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(6-nitroquinolin-2-yl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(6-nitroquinolin-2-yl)amino]acetic acid is O=C(O)C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(6-nitroquinolin-2-yl)amino]acetic acid?
The InChIKey is YOXRRLIBVUSAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-14(19)13(8-1-2-8)16-12-6-3-9-7-10(17(20)21)4-5-11(9)15-12/h3-8,13H,1-2H2,(H,15,16)(H,18,19).
What are the key properties of 2-cyclopropyl-2-[(6-nitroquinolin-2-yl)amino]acetic acid?
2-cyclopropyl-2-[(6-nitroquinolin-2-yl)amino]acetic acid has a molecular weight of 287.28 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(6-nitroquinolin-2-yl)amino]acetic acid is sourced from PubChem (CID 62697311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).