2-(2-amino-N-(1-methylcyclohexanecarbonyl)anilino)acetic acid

C16H22N2O3 — CID 106826093

IUPAC2-(2-amino-N-(1-methylcyclohexanecarbonyl)anilino)acetic acid
SMILESCC1(C(=O)N(CC(=O)O)c2ccccc2N)CCCCC1
InChIInChI=1S/C16H22N2O3/c1-16(9-5-2-6-10-16)15(21)18(11-14(19)20)13-8-4-3-7-12(13)17/h3-4,7-8H,2,5-6,9-11,17H2,1H3,(H,19,20)
InChIKeyHXBSUZWUIKAOND-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.66
Rot. Bonds4

About 2-(2-amino-N-(1-methylcyclohexanecarbonyl)anilino)acetic acid

2-(2-amino-N-(1-methylcyclohexanecarbonyl)anilino)acetic acid (PubChem CID 106826093) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(2-amino-N-(1-methylcyclohexanecarbonyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(2-amino-N-(1-methylcyclohexanecarbonyl)anilino)acetic acid
PubChem CID106826093
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(2-amino-N-(1-methylcyclohexanecarbonyl)anilino)acetic acid
SMILESCC1(C(=O)N(CC(=O)O)c2ccccc2N)CCCCC1
InChIInChI=1S/C16H22N2O3/c1-16(9-5-2-6-10-16)15(21)18(11-14(19)20)13-8-4-3-7-12(13)17/h3-4,7-8H,2,5-6,9-11,17H2,1H3,(H,19,20)
InChIKeyHXBSUZWUIKAOND-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

2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid
CID 63118253
2-(2-amino-N-pentanoylanilino)acetic acid
CID 63118152
2-(2-amino-N-cyclohexylanilino)acetic acid
CID 63118711
2-(N-(3-methylpyrrolidine-3-carbonyl)anilino)acetic acid
CID 63141819
2-(2-amino-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid
CID 79158200
N-(2-aminophenyl)-N-ethyl-2-methylthiolane-2-carboxamide
CID 81456686
2-(2-amino-N-(4-bromobenzoyl)anilino)acetic acid
CID 63118172
N-(3-aminophenyl)-N-ethyl-1-methylcyclohexane-1-carboxamide
CID 106826094
2-(2-amino-N-(2-methylfuran-3-carbonyl)anilino)acetic acid
CID 63118087
2-(2-amino-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid
CID 103017877
N-(2-amino-5-chlorophenyl)-N,1-dimethylcyclohexane-1-carboxamide
CID 107465678
N-(2-aminophenyl)-N-(2-hydroxyethyl)propanamide
CID 43547811

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-(1-methylcyclohexanecarbonyl)anilino)acetic acid?
The IUPAC name of 2-(2-amino-N-(1-methylcyclohexanecarbonyl)anilino)acetic acid (CID 106826093) is 2-(2-amino-N-(1-methylcyclohexanecarbonyl)anilino)acetic acid.
What is the SMILES notation for 2-(2-amino-N-(1-methylcyclohexanecarbonyl)anilino)acetic acid?
The canonical SMILES for 2-(2-amino-N-(1-methylcyclohexanecarbonyl)anilino)acetic acid is CC1(C(=O)N(CC(=O)O)c2ccccc2N)CCCCC1.
What is the InChIKey of 2-(2-amino-N-(1-methylcyclohexanecarbonyl)anilino)acetic acid?
The InChIKey is HXBSUZWUIKAOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(9-5-2-6-10-16)15(21)18(11-14(19)20)13-8-4-3-7-12(13)17/h3-4,7-8H,2,5-6,9-11,17H2,1H3,(H,19,20).
What are the key properties of 2-(2-amino-N-(1-methylcyclohexanecarbonyl)anilino)acetic acid?
2-(2-amino-N-(1-methylcyclohexanecarbonyl)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-(1-methylcyclohexanecarbonyl)anilino)acetic acid is sourced from PubChem (CID 106826093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).