2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid

C16H22N2O3 — CID 63118253

IUPAC2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid
SMILESNc1ccccc1N(CC(=O)O)C(=O)C1CCCCCC1
InChIInChI=1S/C16H22N2O3/c17-13-9-5-6-10-14(13)18(11-15(19)20)16(21)12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8,11,17H2,(H,19,20)
InChIKeyZKAKUUKURXIQEG-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.66
Rot. Bonds4

About 2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid

2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid (PubChem CID 63118253) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid
PubChem CID63118253
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid
SMILESNc1ccccc1N(CC(=O)O)C(=O)C1CCCCCC1
InChIInChI=1S/C16H22N2O3/c17-13-9-5-6-10-14(13)18(11-15(19)20)16(21)12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8,11,17H2,(H,19,20)
InChIKeyZKAKUUKURXIQEG-UHFFFAOYSA-N
XLogP2.66
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-N-benzylcyclopentanecarboxamide
CID 141090307
2-(2-amino-N-cyclohexylanilino)acetic acid
CID 63118711
2-(2-amino-N-(1-methylcyclohexanecarbonyl)anilino)acetic acid
CID 106826093
2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid
CID 62586659
2-(2-amino-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid
CID 79158200
N-(2-chlorophenyl)-N-ethylcyclohexanecarboxamide
CID 145182174
3-[2-amino-N-(oxolane-3-carbonyl)anilino]propanoic acid
CID 63118458
N-(3-aminopropyl)-N-(2-methylphenyl)cycloheptanecarboxamide
CID 62586297
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
2-(2-amino-N-(4-bromobenzoyl)anilino)acetic acid
CID 63118172
2-(2-amino-N-pentanoylanilino)acetic acid
CID 63118152
N-(2-aminophenyl)-2-cycloheptyl-N-(2-hydroxyethyl)acetamide
CID 114457031

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid?
The IUPAC name of 2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid (CID 63118253) is 2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid.
What is the SMILES notation for 2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid?
The canonical SMILES for 2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid is Nc1ccccc1N(CC(=O)O)C(=O)C1CCCCCC1.
What is the InChIKey of 2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid?
The InChIKey is ZKAKUUKURXIQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-13-9-5-6-10-14(13)18(11-15(19)20)16(21)12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8,11,17H2,(H,19,20).
What are the key properties of 2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid?
2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid is sourced from PubChem (CID 63118253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).