3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one

C11H22N2O2 — CID 107217835

IUPAC3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
SMILESCC(C)C(N)CC(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C11H22N2O2/c1-8(2)10(12)6-11(15)13-5-3-4-9(13)7-14/h8-10,14H,3-7,12H2,1-2H3/t9-,10?/m1/s1
InChIKeyAYEXWUWIEVFVEQ-YHMJZVADSA-N
MW214.31 g/mol
LogP0.34
Rot. Bonds4

About 3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one

3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one (PubChem CID 107217835) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
PubChem CID107217835
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
SMILESCC(C)C(N)CC(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C11H22N2O2/c1-8(2)10(12)6-11(15)13-5-3-4-9(13)7-14/h8-10,14H,3-7,12H2,1-2H3/t9-,10?/m1/s1
InChIKeyAYEXWUWIEVFVEQ-YHMJZVADSA-N
XLogP0.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 79013261
3-(4-aminophenyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 107218054
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 68920514
(2R)-2-amino-1-[2-(hydroxymethyl)azepan-1-yl]-3-methylbutan-1-one
CID 104891495
2,2-diamino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 126732263
3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 107217788
2-(butan-2-ylamino)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 107218138
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 61409806
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 61409975
3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 107217823
3-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 64678621
2-bromo-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 63680489

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one?
The IUPAC name of 3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one (CID 107217835) is 3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one.
What is the SMILES notation for 3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one?
The canonical SMILES for 3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one is CC(C)C(N)CC(=O)N1CCC[C@@H]1CO.
What is the InChIKey of 3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one?
The InChIKey is AYEXWUWIEVFVEQ-YHMJZVADSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)10(12)6-11(15)13-5-3-4-9(13)7-14/h8-10,14H,3-7,12H2,1-2H3/t9-,10?/m1/s1.
What are the key properties of 3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one?
3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one is sourced from PubChem (CID 107217835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).