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

C10H20N2O — CID 42553313

IUPAC1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](NCC(C)C)C1
InChIInChI=1S/C10H20N2O/c1-8(2)6-11-10-4-5-12(7-10)9(3)13/h8,10-11H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyJSFIPTGFMYPBMD-JTQLQIEISA-N
MW184.28 g/mol
LogP0.85
Rot. Bonds3

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

1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone (PubChem CID 42553313) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
PubChem CID42553313
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](NCC(C)C)C1
InChIInChI=1S/C10H20N2O/c1-8(2)6-11-10-4-5-12(7-10)9(3)13/h8,10-11H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyJSFIPTGFMYPBMD-JTQLQIEISA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
CID 146497573
ethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone
CID 143082403
2-[(1-acetylpiperidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 113219515
1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone
CID 115908114
1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
CID 172646265
3-[(1-acetylpiperidin-4-yl)amino]-2-methylpropanenitrile
CID 60665962
1-[3-(2-methylpentan-3-ylamino)pyrrolidin-1-yl]ethanone
CID 115893969
N-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269
1-[4-(2,6-dimethylheptan-4-ylamino)piperidin-1-yl]ethanone
CID 43745923
N-ethyl-4-(2-methylpropylamino)piperidine-1-carboxamide
CID 115903388
1-[3-(heptan-2-ylamino)pyrrolidin-1-yl]ethanone
CID 115893971
1-[4-[(2-methyl-3-piperidin-1-ylpropyl)amino]piperidin-1-yl]ethanone
CID 60961230

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone (CID 42553313) is 1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone is CC(=O)N1CC[C@H](NCC(C)C)C1.
What is the InChIKey of 1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone?
The InChIKey is JSFIPTGFMYPBMD-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)6-11-10-4-5-12(7-10)9(3)13/h8,10-11H,4-7H2,1-3H3/t10-/m0/s1.
What are the key properties of 1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone?
1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone has a molecular weight of 184.28 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 42553313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).