2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

C13H26N2O2 — CID 114154103

IUPAC2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCC(C)(CCO)NC(C)C(=O)N1CCCC1
InChIInChI=1S/C13H26N2O2/c1-4-13(3,7-10-16)14-11(2)12(17)15-8-5-6-9-15/h11,14,16H,4-10H2,1-3H3
InChIKeyDHJANPWRJLYSGU-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.14
Rot. Bonds6

About 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 114154103) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID114154103
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCC(C)(CCO)NC(C)C(=O)N1CCCC1
InChIInChI=1S/C13H26N2O2/c1-4-13(3,7-10-16)14-11(2)12(17)15-8-5-6-9-15/h11,14,16H,4-10H2,1-3H3
InChIKeyDHJANPWRJLYSGU-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 114154119
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114149934
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 107852687
2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one
CID 114174239
3-methyl-3-(propan-2-ylamino)pentan-1-ol
CID 115921099
2-[(5-hydroxy-2,2-dimethylpentyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106147291
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(methylcarbamoyl)propanamide
CID 106175369
2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone
CID 103746610
2-(3-methylpentan-3-ylamino)propanoic acid
CID 103829131
2-amino-2-ethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 79809452
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)ethanesulfonamide
CID 112687583
2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 43083625

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 114154103) is 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is CCC(C)(CCO)NC(C)C(=O)N1CCCC1.
What is the InChIKey of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is DHJANPWRJLYSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-13(3,7-10-16)14-11(2)12(17)15-8-5-6-9-15/h11,14,16H,4-10H2,1-3H3.
What are the key properties of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 114154103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).