(2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one

C9H18N2O — CID 79180602

IUPAC(2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
SMILESCC1CN(C(=O)[C@@H](C)N)CC1C
InChIInChI=1S/C9H18N2O/c1-6-4-11(5-7(6)2)9(12)8(3)10/h6-8H,4-5,10H2,1-3H3/t6?,7?,8-/m1/s1
InChIKeyJBBMLZYOAGZNQJ-KAVNDROISA-N
MW170.26 g/mol
LogP0.45
Rot. Bonds1

About (2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one

(2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one (PubChem CID 79180602) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
PubChem CID79180602
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
SMILESCC1CN(C(=O)[C@@H](C)N)CC1C
InChIInChI=1S/C9H18N2O/c1-6-4-11(5-7(6)2)9(12)8(3)10/h6-8H,4-5,10H2,1-3H3/t6?,7?,8-/m1/s1
InChIKeyJBBMLZYOAGZNQJ-KAVNDROISA-N
XLogP0.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79181117
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 79180939
(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)propan-1-one
CID 106669235
(2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
CID 129380985
(2R)-2-amino-1-[(3S,4S)-3-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one
CID 129499703
(2R)-2-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 119899591
2-[1-[(2S)-2-aminopropanoyl]azetidin-3-yl]propanoic acid
CID 104892415
3-amino-1-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 79184567
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 79181119
2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119304817
4-(3,4-dimethylpyrrolidin-1-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103498736
2-amino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 18715079

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one (CID 79180602) is (2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one is CC1CN(C(=O)[C@@H](C)N)CC1C.
What is the InChIKey of (2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one?
The InChIKey is JBBMLZYOAGZNQJ-KAVNDROISA-N. The full InChI is InChI=1S/C9H18N2O/c1-6-4-11(5-7(6)2)9(12)8(3)10/h6-8H,4-5,10H2,1-3H3/t6?,7?,8-/m1/s1.
What are the key properties of (2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one?
(2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one has a molecular weight of 170.26 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 79180602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).