1-[2-(4-nitroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid

C14H16N2O5 — CID 43402804

IUPAC1-[2-(4-nitroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H16N2O5/c17-12(9-14(13(18)19)7-1-2-8-14)15-10-3-5-11(6-4-10)16(20)21/h3-6H,1-2,7-9H2,(H,15,17)(H,18,19)
InChIKeyARZAHSUYENMTKO-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.57
Rot. Bonds5

About 1-[2-(4-nitroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-(4-nitroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 43402804) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-[2-(4-nitroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-nitroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID43402804
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name1-[2-(4-nitroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H16N2O5/c17-12(9-14(13(18)19)7-1-2-8-14)15-10-3-5-11(6-4-10)16(20)21/h3-6H,1-2,7-9H2,(H,15,17)(H,18,19)
InChIKeyARZAHSUYENMTKO-UHFFFAOYSA-N
XLogP2.57
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(4-nitroanilino)methyl]cyclopentane-1-carboxylic acid
CID 115433296
1-[2-(4-hydroxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 17442656
1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 17420083
1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 45312610
1-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 56807907
1-[(4-nitrophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 22503951
1-[[[2-(4-nitrophenyl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369467
1-amino-N-(4-nitrophenyl)cyclobutane-1-carboxamide
CID 81179172
2-nitro-N-(4-nitrophenyl)acetamide
CID 19743312
1-[2-(1H-indol-5-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60941797
2-[1-(4-nitroanilino)cyclobutyl]acetic acid
CID 79845223
N-[4-(1-cyanocyclopentyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 21216723

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-nitroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(4-nitroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 43402804) is 1-[2-(4-nitroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(4-nitroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(4-nitroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCC1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-[2-(4-nitroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is ARZAHSUYENMTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c17-12(9-14(13(18)19)7-1-2-8-14)15-10-3-5-11(6-4-10)16(20)21/h3-6H,1-2,7-9H2,(H,15,17)(H,18,19).
What are the key properties of 1-[2-(4-nitroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-(4-nitroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-nitroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43402804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).