2-[2-[3-(aminomethyl)-3-hydroxyazetidine-1-carbonyl]phenoxy]acetamide

C13H17N3O4 — CID 167850088

IUPAC2-[2-[3-(aminomethyl)-3-hydroxyazetidine-1-carbonyl]phenoxy]acetamide
SMILESNCC1(O)CN(C(=O)c2ccccc2OCC(N)=O)C1
InChIInChI=1S/C13H17N3O4/c14-6-13(19)7-16(8-13)12(18)9-3-1-2-4-10(9)20-5-11(15)17/h1-4,19H,5-8,14H2,(H2,15,17)
InChIKeyPXHPRVOYARNOJF-UHFFFAOYSA-N
MW279.30 g/mol
LogP-1.30
Rot. Bonds5

About 2-[2-[3-(aminomethyl)-3-hydroxyazetidine-1-carbonyl]phenoxy]acetamide

2-[2-[3-(aminomethyl)-3-hydroxyazetidine-1-carbonyl]phenoxy]acetamide (PubChem CID 167850088) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[2-[3-(aminomethyl)-3-hydroxyazetidine-1-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[3-(aminomethyl)-3-hydroxyazetidine-1-carbonyl]phenoxy]acetamide
PubChem CID167850088
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[2-[3-(aminomethyl)-3-hydroxyazetidine-1-carbonyl]phenoxy]acetamide
SMILESNCC1(O)CN(C(=O)c2ccccc2OCC(N)=O)C1
InChIInChI=1S/C13H17N3O4/c14-6-13(19)7-16(8-13)12(18)9-3-1-2-4-10(9)20-5-11(15)17/h1-4,19H,5-8,14H2,(H2,15,17)
InChIKeyPXHPRVOYARNOJF-UHFFFAOYSA-N
XLogP-1.30
TPSA118.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-ethyl-4-hydroxypiperidine-1-carbonyl)phenoxy]acetamide
CID 119138250
2-[2-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)phenoxy]acetamide
CID 119125116
2-[2-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenoxy]acetamide;hydrochloride
CID 119639113
2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 120660781
2-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenoxy]acetamide
CID 119625161
2-[2-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenoxy]acetamide
CID 32647513
2-(2-hydroxyphenoxy)acetamide
CID 786426
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]acetamide
CID 24699457
2-(2-amino-2-oxoethoxy)benzamide;ethanesulfonic acid
CID 172768099
2-[2-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]phenoxy]acetamide
CID 67169798
N-(1-adamantyl)-2-(2-amino-2-oxoethoxy)benzamide
CID 578415
[4-(2-pentoxybenzoyl)piperazin-1-yl]-(2-pentoxyphenyl)methanone
CID 4947734

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(aminomethyl)-3-hydroxyazetidine-1-carbonyl]phenoxy]acetamide?
The IUPAC name of 2-[2-[3-(aminomethyl)-3-hydroxyazetidine-1-carbonyl]phenoxy]acetamide (CID 167850088) is 2-[2-[3-(aminomethyl)-3-hydroxyazetidine-1-carbonyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-[3-(aminomethyl)-3-hydroxyazetidine-1-carbonyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-[3-(aminomethyl)-3-hydroxyazetidine-1-carbonyl]phenoxy]acetamide is NCC1(O)CN(C(=O)c2ccccc2OCC(N)=O)C1.
What is the InChIKey of 2-[2-[3-(aminomethyl)-3-hydroxyazetidine-1-carbonyl]phenoxy]acetamide?
The InChIKey is PXHPRVOYARNOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c14-6-13(19)7-16(8-13)12(18)9-3-1-2-4-10(9)20-5-11(15)17/h1-4,19H,5-8,14H2,(H2,15,17).
What are the key properties of 2-[2-[3-(aminomethyl)-3-hydroxyazetidine-1-carbonyl]phenoxy]acetamide?
2-[2-[3-(aminomethyl)-3-hydroxyazetidine-1-carbonyl]phenoxy]acetamide has a molecular weight of 279.30 g/mol, XLogP of -1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(aminomethyl)-3-hydroxyazetidine-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 167850088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).