N-(5-amino-2-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide

C13H19N3O3 — CID 62918714

IUPACN-(5-amino-2-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
SMILESCOc1ccc(N)cc1NC(=O)CN1CCC(O)C1
InChIInChI=1S/C13H19N3O3/c1-19-12-3-2-9(14)6-11(12)15-13(18)8-16-5-4-10(17)7-16/h2-3,6,10,17H,4-5,7-8,14H2,1H3,(H,15,18)
InChIKeyATLVQACLSADDFI-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.28
Rot. Bonds4

About N-(5-amino-2-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide

N-(5-amino-2-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide (PubChem CID 62918714) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
PubChem CID62918714
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(5-amino-2-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
SMILESCOc1ccc(N)cc1NC(=O)CN1CCC(O)C1
InChIInChI=1S/C13H19N3O3/c1-19-12-3-2-9(14)6-11(12)15-13(18)8-16-5-4-10(17)7-16/h2-3,6,10,17H,4-5,7-8,14H2,1H3,(H,15,18)
InChIKeyATLVQACLSADDFI-UHFFFAOYSA-N
XLogP0.28
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methoxyphenyl)-4-(3-hydroxypyrrolidin-1-yl)butanamide
CID 62917024
N-(5-amino-2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 16784173
N-(4-amino-2-methoxyphenyl)-2-(3-methylpyrrolidin-1-yl)acetamide
CID 61223798
N-(2-amino-4-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917017
N-(4-amino-2-methoxyphenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63166002
N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963334
N-(5-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide
CID 79663165
N-(5-amino-2-methoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 16782750
2-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 31478295
N-(4-amino-2-methoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246094
1-[2-(5-amino-2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43212131
N-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 16791482

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide (CID 62918714) is N-(5-amino-2-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide is COc1ccc(N)cc1NC(=O)CN1CCC(O)C1.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide?
The InChIKey is ATLVQACLSADDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-19-12-3-2-9(14)6-11(12)15-13(18)8-16-5-4-10(17)7-16/h2-3,6,10,17H,4-5,7-8,14H2,1H3,(H,15,18).
What are the key properties of N-(5-amino-2-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide?
N-(5-amino-2-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide has a molecular weight of 265.31 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide is sourced from PubChem (CID 62918714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).