3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-hydroxypropanamide

C12H21N3O3 — CID 106175674

IUPAC3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C12H21N3O3/c13-12(18)10(16)6-14-11(17)5-7-3-8-1-2-9(4-7)15-8/h7-10,15-16H,1-6H2,(H2,13,18)(H,14,17)
InChIKeyADQITZXMHXPIOQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP-1.13
Rot. Bonds5

About 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-hydroxypropanamide

3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-hydroxypropanamide (PubChem CID 106175674) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-hydroxypropanamide
PubChem CID106175674
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C12H21N3O3/c13-12(18)10(16)6-14-11(17)5-7-3-8-1-2-9(4-7)15-8/h7-10,15-16H,1-6H2,(H2,13,18)(H,14,17)
InChIKeyADQITZXMHXPIOQ-UHFFFAOYSA-N
XLogP-1.13
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(azetidin-3-yl)acetyl]amino]-2-hydroxypropanamide
CID 106175935
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-dimethoxyethyl)acetamide
CID 79607693
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propanamide
CID 79607251
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-cyanopropyl)acetamide
CID 79615389
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 79609823
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide
CID 79607673
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methoxy-3-methylbutyl)acetamide
CID 119813455
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfonylethyl)acetamide
CID 79606940
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-cyclohexyl-2-(dimethylamino)ethyl]acetamide
CID 119850513
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]acetamide
CID 119730495
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 79615256
(2R)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 80750585

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-hydroxypropanamide?
The IUPAC name of 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-hydroxypropanamide (CID 106175674) is 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-hydroxypropanamide is NC(=O)C(O)CNC(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-hydroxypropanamide?
The InChIKey is ADQITZXMHXPIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c13-12(18)10(16)6-14-11(17)5-7-3-8-1-2-9(4-7)15-8/h7-10,15-16H,1-6H2,(H2,13,18)(H,14,17).
What are the key properties of 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-hydroxypropanamide?
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-hydroxypropanamide has a molecular weight of 255.32 g/mol, XLogP of -1.13, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-hydroxypropanamide is sourced from PubChem (CID 106175674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).