3-amino-2-(1-hydroxycyclobutyl)butanamide

C8H16N2O2 — CID 91827576

IUPAC3-amino-2-(1-hydroxycyclobutyl)butanamide
SMILESCC(N)C(C(N)=O)C1(O)CCC1
InChIInChI=1S/C8H16N2O2/c1-5(9)6(7(10)11)8(12)3-2-4-8/h5-6,12H,2-4,9H2,1H3,(H2,10,11)
InChIKeyRNDMINUVDJHKSS-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.65
Rot. Bonds3

About 3-amino-2-(1-hydroxycyclobutyl)butanamide

3-amino-2-(1-hydroxycyclobutyl)butanamide (PubChem CID 91827576) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-amino-2-(1-hydroxycyclobutyl)butanamide.

Molecular Properties

Compound Name3-amino-2-(1-hydroxycyclobutyl)butanamide
PubChem CID91827576
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-amino-2-(1-hydroxycyclobutyl)butanamide
SMILESCC(N)C(C(N)=O)C1(O)CCC1
InChIInChI=1S/C8H16N2O2/c1-5(9)6(7(10)11)8(12)3-2-4-8/h5-6,12H,2-4,9H2,1H3,(H2,10,11)
InChIKeyRNDMINUVDJHKSS-UHFFFAOYSA-N
XLogP-0.65
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-aminoethyl]cyclohexan-1-ol
CID 92975390
methyl 2-(1-hydroxy-4,4-dimethylcycloheptyl)-3-methylbutanoate
CID 65087798
2-methylpropanoic acid;1-propan-2-ylcyclohexan-1-ol
CID 174748653
1-(1-amino-2-methylpropyl)cyclopentan-1-ol
CID 18373867
cyclopentane;2-methylpropanamide
CID 142523492
1-N',1-N'-bis[1-(1-hydroxycyclobutyl)ethyl]cyclohexane-1,1-dicarboxamide
CID 77217600
3-(4-hydroxy-4-propan-2-ylazepan-1-yl)-3-oxopropanamide
CID 58456130
tert-butyl 2-(1-hydroxy-4,4-dimethylcycloheptyl)propanoate
CID 66339645
methyl 2-(1-hydroxy-4,4-dimethylcycloheptyl)propanoate
CID 65087693
N'-[(1R)-1-(1-hydroxycyclobutyl)propyl]oxamide
CID 141117177
2-aminopropanamide;dihydrochloride
CID 19963402
2-aminopropanamide;ethane
CID 156828005

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1-hydroxycyclobutyl)butanamide?
The IUPAC name of 3-amino-2-(1-hydroxycyclobutyl)butanamide (CID 91827576) is 3-amino-2-(1-hydroxycyclobutyl)butanamide.
What is the SMILES notation for 3-amino-2-(1-hydroxycyclobutyl)butanamide?
The canonical SMILES for 3-amino-2-(1-hydroxycyclobutyl)butanamide is CC(N)C(C(N)=O)C1(O)CCC1.
What is the InChIKey of 3-amino-2-(1-hydroxycyclobutyl)butanamide?
The InChIKey is RNDMINUVDJHKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-5(9)6(7(10)11)8(12)3-2-4-8/h5-6,12H,2-4,9H2,1H3,(H2,10,11).
What are the key properties of 3-amino-2-(1-hydroxycyclobutyl)butanamide?
3-amino-2-(1-hydroxycyclobutyl)butanamide has a molecular weight of 172.23 g/mol, XLogP of -0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1-hydroxycyclobutyl)butanamide is sourced from PubChem (CID 91827576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).