2-amino-2-cyclopropyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one

C13H24N2O2 — CID 62478863

IUPAC2-amino-2-cyclopropyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(N)(C(=O)N1CCCC1CCCO)C1CC1
InChIInChI=1S/C13H24N2O2/c1-13(14,10-6-7-10)12(17)15-8-2-4-11(15)5-3-9-16/h10-11,16H,2-9,14H2,1H3
InChIKeyZHZMYJJFHATVDD-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.88
Rot. Bonds5

About 2-amino-2-cyclopropyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one

2-amino-2-cyclopropyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 62478863) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
PubChem CID62478863
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-amino-2-cyclopropyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(N)(C(=O)N1CCCC1CCCO)C1CC1
InChIInChI=1S/C13H24N2O2/c1-13(14,10-6-7-10)12(17)15-8-2-4-11(15)5-3-9-16/h10-11,16H,2-9,14H2,1H3
InChIKeyZHZMYJJFHATVDD-UHFFFAOYSA-N
XLogP0.88
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-cyclopropyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83053178
3-cyclopentyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62469307
1-(2-amino-2-cyclopropylpropanoyl)pyrrolidine-2-carboxylic acid
CID 61157679
5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 62933577
2-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile
CID 62480631
3-(tert-butylamino)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62478861
2-amino-2-cyclopropyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 60866949
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 62469314
2,2,2-trifluoroethyl 2-(3-hydroxypropyl)pyrrolidine-1-carboxylate
CID 62734845
1-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 167912648
[4-(aminomethyl)cyclohexyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62806429
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 62589501

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-amino-2-cyclopropyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one (CID 62478863) is 2-amino-2-cyclopropyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-2-cyclopropyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-2-cyclopropyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one is CC(N)(C(=O)N1CCCC1CCCO)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is ZHZMYJJFHATVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(14,10-6-7-10)12(17)15-8-2-4-11(15)5-3-9-16/h10-11,16H,2-9,14H2,1H3.
What are the key properties of 2-amino-2-cyclopropyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one?
2-amino-2-cyclopropyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 240.35 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 62478863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).