2-hydroxy-1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone

C10H20N2O2 — CID 146497573

IUPAC2-hydroxy-1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
SMILESCC(C)CN[C@@H]1CCN(C(=O)CO)C1
InChIInChI=1S/C10H20N2O2/c1-8(2)5-11-9-3-4-12(6-9)10(14)7-13/h8-9,11,13H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyOXYKMDJOKRMTIG-SECBINFHSA-N
MW200.28 g/mol
LogP-0.17
Rot. Bonds4

About 2-hydroxy-1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone

2-hydroxy-1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone (PubChem CID 146497573) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-hydroxy-1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
PubChem CID146497573
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-hydroxy-1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
SMILESCC(C)CN[C@@H]1CCN(C(=O)CO)C1
InChIInChI=1S/C10H20N2O2/c1-8(2)5-11-9-3-4-12(6-9)10(14)7-13/h8-9,11,13H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyOXYKMDJOKRMTIG-SECBINFHSA-N
XLogP-0.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
CID 42553313
3-hydroxy-1-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]butan-1-one
CID 54297808
N-ethyl-4-(2-methylpropylamino)piperidine-1-carboxamide
CID 115903388
2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 20811818
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
ethane;2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 143709835
5-[(1,1-dioxothian-4-yl)amino]-4-methyl-1-[4-(2-methylpropylamino)piperidin-1-yl]pentan-1-one
CID 155183403
2-methoxy-1-[4-(2-methylpentylamino)piperidin-1-yl]ethanone
CID 43747502
tert-butyl 3-[2-(dimethylamino)propylamino]pyrrolidine-1-carboxylate
CID 81462982
methyl 3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate
CID 91643444
methyl (3S)-3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate
CID 99811858
1-[3-(methylamino)pyrrolidin-1-yl]-2-[2-methylpropyl(propan-2-yl)amino]ethanone
CID 23588135

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone (CID 146497573) is 2-hydroxy-1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone is CC(C)CN[C@@H]1CCN(C(=O)CO)C1.
What is the InChIKey of 2-hydroxy-1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone?
The InChIKey is OXYKMDJOKRMTIG-SECBINFHSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(2)5-11-9-3-4-12(6-9)10(14)7-13/h8-9,11,13H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of 2-hydroxy-1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone?
2-hydroxy-1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone has a molecular weight of 200.28 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 146497573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).