2-(2-amino-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid

C15H21N3O3 — CID 79158200

IUPAC2-(2-amino-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid
SMILESCC1CCCN(C(=O)N(CC(=O)O)c2ccccc2N)C1
InChIInChI=1S/C15H21N3O3/c1-11-5-4-8-17(9-11)15(21)18(10-14(19)20)13-7-3-2-6-12(13)16/h2-3,6-7,11H,4-5,8-10,16H2,1H3,(H,19,20)
InChIKeyHITXMSFOYOCWRQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.01
Rot. Bonds3

About 2-(2-amino-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid

2-(2-amino-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid (PubChem CID 79158200) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(2-amino-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(2-amino-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid
PubChem CID79158200
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-(2-amino-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid
SMILESCC1CCCN(C(=O)N(CC(=O)O)c2ccccc2N)C1
InChIInChI=1S/C15H21N3O3/c1-11-5-4-8-17(9-11)15(21)18(10-14(19)20)13-7-3-2-6-12(13)16/h2-3,6-7,11H,4-5,8-10,16H2,1H3,(H,19,20)
InChIKeyHITXMSFOYOCWRQ-UHFFFAOYSA-N
XLogP2.01
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.01
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-(4-chloro-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid
CID 61186885
N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpiperidine-1-carboxamide
CID 79159196
N,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 108990934
2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid
CID 63118253
2-(N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]anilino)acetic acid
CID 51674289
2-(N-(3-methoxypiperidine-1-carbonyl)anilino)acetic acid
CID 102962941
N-(2-ethylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113169094
N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide
CID 113169650
2-(2-amino-N-(1-methylcyclohexanecarbonyl)anilino)acetic acid
CID 106826093
2-(N-(3-aminopiperidine-1-carbonyl)-4-hydroxyanilino)acetic acid
CID 61403610
N-(furan-2-ylmethyl)-N,3-dimethylpiperidine-1-carboxamide
CID 116654269
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid?
The IUPAC name of 2-(2-amino-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid (CID 79158200) is 2-(2-amino-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid.
What is the SMILES notation for 2-(2-amino-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid?
The canonical SMILES for 2-(2-amino-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid is CC1CCCN(C(=O)N(CC(=O)O)c2ccccc2N)C1.
What is the InChIKey of 2-(2-amino-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid?
The InChIKey is HITXMSFOYOCWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-5-4-8-17(9-11)15(21)18(10-14(19)20)13-7-3-2-6-12(13)16/h2-3,6-7,11H,4-5,8-10,16H2,1H3,(H,19,20).
What are the key properties of 2-(2-amino-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid?
2-(2-amino-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid has a molecular weight of 291.35 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid is sourced from PubChem (CID 79158200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).