cis-(1S,3R)-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid

C11H14N4O5 — CID 120676054

IUPACcis-(1S,3R)-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C11H14N4O5/c16-10(6-14-5-9(4-12-14)15(19)20)13-8-2-1-7(3-8)11(17)18/h4-5,7-8H,1-3,6H2,(H,13,16)(H,17,18)/t7-,8+/m0/s1
InChIKeyFKZMDJNDMYZIFC-JGVFFNPUSA-N
MW282.26 g/mol
LogP0.16
Rot. Bonds5

About cis-(1S,3R)-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120676054) has the molecular formula C11H14N4O5 and a molecular weight of 282.26 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120676054
Molecular FormulaC11H14N4O5
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Namecis-(1S,3R)-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C11H14N4O5/c16-10(6-14-5-9(4-12-14)15(19)20)13-8-2-1-7(3-8)11(17)18/h4-5,7-8H,1-3,6H2,(H,13,16)(H,17,18)/t7-,8+/m0/s1
InChIKeyFKZMDJNDMYZIFC-JGVFFNPUSA-N
XLogP0.16
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 ≤ 50.16
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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Related Compounds

N-(4-hydroxycyclohexyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 43417279
N-(2-methylpiperidin-3-yl)-2-(4-nitropyrazol-1-yl)acetamide
CID 120575393
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
3-methyl-1-[2-(4-nitropyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 102775407
(3S)-1-[2-(4-nitropyrazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 81125826
N-(1-adamantylmethyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19516008
N-(1,2-dimethylcyclohexyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 122152287
N-[(1R,3R)-3-methylsulfanylcyclohexyl]-3-(4-nitropyrazol-1-yl)propanamide
CID 95770990
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 62527735
2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide
CID 60733166
N-benzyl-2-(4-nitropyrazol-1-yl)acetamide
CID 2983141
(2R)-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]propanoic acid
CID 54990888

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 120676054) is cis-(1S,3R)-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is FKZMDJNDMYZIFC-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H14N4O5/c16-10(6-14-5-9(4-12-14)15(19)20)13-8-2-1-7(3-8)11(17)18/h4-5,7-8H,1-3,6H2,(H,13,16)(H,17,18)/t7-,8+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120676054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).