6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylheptan-1-one

C12H24N2O2 — CID 107217224

IUPAC6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylheptan-1-one
SMILESCC(N)CCCC(C)C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C12H24N2O2/c1-9(4-3-5-10(2)13)12(16)14-7-6-11(15)8-14/h9-11,15H,3-8,13H2,1-2H3/t9?,10?,11-/m1/s1
InChIKeyCIMBLZYKRZGYHR-VQXHTEKXSA-N
MW228.34 g/mol
LogP0.73
Rot. Bonds5

About 6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylheptan-1-one

6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylheptan-1-one (PubChem CID 107217224) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylheptan-1-one.

Molecular Properties

Compound Name6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylheptan-1-one
PubChem CID107217224
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylheptan-1-one
SMILESCC(N)CCCC(C)C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C12H24N2O2/c1-9(4-3-5-10(2)13)12(16)14-7-6-11(15)8-14/h9-11,15H,3-8,13H2,1-2H3/t9?,10?,11-/m1/s1
InChIKeyCIMBLZYKRZGYHR-VQXHTEKXSA-N
XLogP0.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-2-methyl-1-(4-methylsulfanylpiperidin-1-yl)heptan-1-one
CID 114237000
(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 86323735
6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylheptan-1-one
CID 65290352
6-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylheptan-1-one
CID 107217037
N-[1-(6-amino-2-methylheptanoyl)piperidin-3-yl]acetamide
CID 65292227
6-amino-2-methyl-1-piperazin-1-ylheptan-1-one
CID 65292866
2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 103950641
ethyl 2-amino-3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropanoate
CID 107217271
6-amino-1-(4-ethylpiperazin-1-yl)-2-methylheptan-1-one
CID 65292796
[1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]urea
CID 62918442
2-amino-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43503084
(2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93086372

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylheptan-1-one?
The IUPAC name of 6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylheptan-1-one (CID 107217224) is 6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylheptan-1-one.
What is the SMILES notation for 6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylheptan-1-one?
The canonical SMILES for 6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylheptan-1-one is CC(N)CCCC(C)C(=O)N1CC[C@@H](O)C1.
What is the InChIKey of 6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylheptan-1-one?
The InChIKey is CIMBLZYKRZGYHR-VQXHTEKXSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(4-3-5-10(2)13)12(16)14-7-6-11(15)8-14/h9-11,15H,3-8,13H2,1-2H3/t9?,10?,11-/m1/s1.
What are the key properties of 6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylheptan-1-one?
6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylheptan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylheptan-1-one is sourced from PubChem (CID 107217224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).