1-[[2-(3-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid

C11H14N4O5 — CID 61060609

IUPAC1-[[2-(3-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H14N4O5/c16-9(7-14-6-3-8(13-14)15(19)20)12-11(10(17)18)4-1-2-5-11/h3,6H,1-2,4-5,7H2,(H,12,16)(H,17,18)
InChIKeyKEKDPPKEVDXUIU-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.30
Rot. Bonds5

About 1-[[2-(3-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid

1-[[2-(3-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 61060609) has the molecular formula C11H14N4O5 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-[[2-(3-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(3-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID61060609
Molecular FormulaC11H14N4O5
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name1-[[2-(3-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H14N4O5/c16-9(7-14-6-3-8(13-14)15(19)20)12-11(10(17)18)4-1-2-5-11/h3,6H,1-2,4-5,7H2,(H,12,16)(H,17,18)
InChIKeyKEKDPPKEVDXUIU-UHFFFAOYSA-N
XLogP0.30
TPSA127.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.30
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-(3-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 61060609) is 1-[[2-(3-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(3-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(3-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(Cn1ccc([N+](=O)[O-])n1)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-(3-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is KEKDPPKEVDXUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5/c16-9(7-14-6-3-8(13-14)15(19)20)12-11(10(17)18)4-1-2-5-11/h3,6H,1-2,4-5,7H2,(H,12,16)(H,17,18).
What are the key properties of 1-[[2-(3-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-(3-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61060609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).