2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(methylcarbamoyl)propanamide

C11H21N3O3 — CID 114629453

IUPAC2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NC1CC(O)C1(C)C
InChIInChI=1S/C11H21N3O3/c1-6(9(16)14-10(17)12-4)13-7-5-8(15)11(7,2)3/h6-8,13,15H,5H2,1-4H3,(H2,12,14,16,17)
InChIKeySOQYZEPSBIOVIZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.42
Rot. Bonds3

About 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(methylcarbamoyl)propanamide

2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(methylcarbamoyl)propanamide (PubChem CID 114629453) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(methylcarbamoyl)propanamide
PubChem CID114629453
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NC1CC(O)C1(C)C
InChIInChI=1S/C11H21N3O3/c1-6(9(16)14-10(17)12-4)13-7-5-8(15)11(7,2)3/h6-8,13,15H,5H2,1-4H3,(H2,12,14,16,17)
InChIKeySOQYZEPSBIOVIZ-UHFFFAOYSA-N
XLogP-0.42
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide
CID 112633408
methyl (2S)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanoate
CID 103948463
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(4-methylphenyl)propanamide
CID 114629421
N-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylpropanamide
CID 103107048
2-cyclopropyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetic acid
CID 103267221
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-methylpropanamide
CID 64851351
2,2-dimethyl-3-(4-methylpentan-2-ylamino)cyclobutan-1-ol
CID 112633394
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propane-1,3-diol
CID 112634110
N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methylpropanamide
CID 112633271
3-[[(1R)-1-cyclopentylethyl]amino]-2,2-dimethylcyclobutan-1-ol
CID 103948487
N-(3-hydroxy-2,2-dimethylcyclobutyl)propane-2-sulfonamide
CID 114631535
3-(1-methoxypropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633134

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(methylcarbamoyl)propanamide (CID 114629453) is 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)NC1CC(O)C1(C)C.
What is the InChIKey of 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(methylcarbamoyl)propanamide?
The InChIKey is SOQYZEPSBIOVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-6(9(16)14-10(17)12-4)13-7-5-8(15)11(7,2)3/h6-8,13,15H,5H2,1-4H3,(H2,12,14,16,17).
What are the key properties of 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(methylcarbamoyl)propanamide?
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(methylcarbamoyl)propanamide has a molecular weight of 243.31 g/mol, XLogP of -0.42, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 114629453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).