2-(1-aminocyclobutyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide

C12H24N2O2 — CID 79853679

IUPAC2-(1-aminocyclobutyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
SMILESCC(C)CC(CO)NC(=O)CC1(N)CCC1
InChIInChI=1S/C12H24N2O2/c1-9(2)6-10(8-15)14-11(16)7-12(13)4-3-5-12/h9-10,15H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyRWELPIHAEGTSQA-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.78
Rot. Bonds6

About 2-(1-aminocyclobutyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide

2-(1-aminocyclobutyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide (PubChem CID 79853679) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
PubChem CID79853679
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(1-aminocyclobutyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
SMILESCC(C)CC(CO)NC(=O)CC1(N)CCC1
InChIInChI=1S/C12H24N2O2/c1-9(2)6-10(8-15)14-11(16)7-12(13)4-3-5-12/h9-10,15H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyRWELPIHAEGTSQA-UHFFFAOYSA-N
XLogP0.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclopentyl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide
CID 107222528
2-(1-aminocyclopentyl)-N-(1-hydroxybutan-2-yl)acetamide
CID 64685767
2-[1-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61246423
2-[[2-(1-aminocyclobutyl)acetyl]amino]propanamide
CID 79851893
(2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-hydroxypropanoic acid
CID 79854103
2-(1-aminocyclobutyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 79854232
2-cyclopentyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61247343
2-[[2-(1-aminocyclohexyl)acetyl]amino]-N,N,4-trimethylpentanamide
CID 64685004
2-(1-aminocyclobutyl)-N-(1-cyclopropylbutan-2-yl)acetamide
CID 79853622
1-N,1-N'-bis(1-hydroxy-4-methylpentan-2-yl)cyclohexane-1,1-dicarboxamide
CID 23141188
2-(1-aminocyclohexyl)-N-hexan-3-ylacetamide
CID 64679470
2-(4-aminocyclohexyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 62782742

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide (CID 79853679) is 2-(1-aminocyclobutyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide is CC(C)CC(CO)NC(=O)CC1(N)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide?
The InChIKey is RWELPIHAEGTSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)6-10(8-15)14-11(16)7-12(13)4-3-5-12/h9-10,15H,3-8,13H2,1-2H3,(H,14,16).
What are the key properties of 2-(1-aminocyclobutyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide?
2-(1-aminocyclobutyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide has a molecular weight of 228.34 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide is sourced from PubChem (CID 79853679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).