2-(2-cyclopentyloxyethylamino)-5-nitrobenzoic acid

C14H18N2O5 — CID 63827450

IUPAC2-(2-cyclopentyloxyethylamino)-5-nitrobenzoic acid
SMILESO=C(O)c1cc([N+](=O)[O-])ccc1NCCOC1CCCC1
InChIInChI=1S/C14H18N2O5/c17-14(18)12-9-10(16(19)20)5-6-13(12)15-7-8-21-11-3-1-2-4-11/h5-6,9,11,15H,1-4,7-8H2,(H,17,18)
InChIKeyWBPTZJWPLVQECF-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.66
Rot. Bonds7

About 2-(2-cyclopentyloxyethylamino)-5-nitrobenzoic acid

2-(2-cyclopentyloxyethylamino)-5-nitrobenzoic acid (PubChem CID 63827450) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-(2-cyclopentyloxyethylamino)-5-nitrobenzoic acid.

Molecular Properties

Compound Name2-(2-cyclopentyloxyethylamino)-5-nitrobenzoic acid
PubChem CID63827450
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-(2-cyclopentyloxyethylamino)-5-nitrobenzoic acid
SMILESO=C(O)c1cc([N+](=O)[O-])ccc1NCCOC1CCCC1
InChIInChI=1S/C14H18N2O5/c17-14(18)12-9-10(16(19)20)5-6-13(12)15-7-8-21-11-3-1-2-4-11/h5-6,9,11,15H,1-4,7-8H2,(H,17,18)
InChIKeyWBPTZJWPLVQECF-UHFFFAOYSA-N
XLogP2.66
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-cyclopentyloxyethylamino)-2-nitrobenzoic acid
CID 115542477
5-nitro-2-(2-propan-2-yloxyethylamino)benzoic acid
CID 104762134
N-(2-cyclopentyloxyethyl)-2-(difluoromethyl)-4-nitroaniline
CID 63828426
5-nitro-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzoic acid
CID 60731028
N-(2-cyclopentyloxyethyl)-4-nitroaniline
CID 60964997
1-(2-cyclopentyloxyethyl)-3-(2-methyl-4-nitrophenyl)urea
CID 99716529
4-(2-cyclopentyloxyethylamino)-2,3-difluorobenzoic acid
CID 79840391
2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid
CID 16771086
5-nitro-2-(4-propan-2-yloxybutylamino)benzoic acid
CID 106003878
5-nitro-2-(pent-4-ynylamino)benzoic acid
CID 106222353
5-nitro-2-(pentylamino)benzoic acid
CID 29269659
2-[2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]ethylamino]-5-nitrobenzoic acid
CID 7348915

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyloxyethylamino)-5-nitrobenzoic acid?
The IUPAC name of 2-(2-cyclopentyloxyethylamino)-5-nitrobenzoic acid (CID 63827450) is 2-(2-cyclopentyloxyethylamino)-5-nitrobenzoic acid.
What is the SMILES notation for 2-(2-cyclopentyloxyethylamino)-5-nitrobenzoic acid?
The canonical SMILES for 2-(2-cyclopentyloxyethylamino)-5-nitrobenzoic acid is O=C(O)c1cc([N+](=O)[O-])ccc1NCCOC1CCCC1.
What is the InChIKey of 2-(2-cyclopentyloxyethylamino)-5-nitrobenzoic acid?
The InChIKey is WBPTZJWPLVQECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c17-14(18)12-9-10(16(19)20)5-6-13(12)15-7-8-21-11-3-1-2-4-11/h5-6,9,11,15H,1-4,7-8H2,(H,17,18).
What are the key properties of 2-(2-cyclopentyloxyethylamino)-5-nitrobenzoic acid?
2-(2-cyclopentyloxyethylamino)-5-nitrobenzoic acid has a molecular weight of 294.31 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyloxyethylamino)-5-nitrobenzoic acid is sourced from PubChem (CID 63827450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).