5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one

C10H20N2O2 — CID 82011405

IUPAC5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one
SMILESCC(CN)CCC(=O)N1CCC(O)C1
InChIInChI=1S/C10H20N2O2/c1-8(6-11)2-3-10(14)12-5-4-9(13)7-12/h8-9,13H,2-7,11H2,1H3
InChIKeyRJYXJVVMQYXYOO-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.05
Rot. Bonds4

About 5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one

5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one (PubChem CID 82011405) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one
PubChem CID82011405
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one
SMILESCC(CN)CCC(=O)N1CCC(O)C1
InChIInChI=1S/C10H20N2O2/c1-8(6-11)2-3-10(14)12-5-4-9(13)7-12/h8-9,13H,2-7,11H2,1H3
InChIKeyRJYXJVVMQYXYOO-UHFFFAOYSA-N
XLogP-0.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one
CID 107222947
6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylhexan-1-one
CID 107217188
4-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 81080868
1-(5-amino-4-methylpentanoyl)pyrrolidine-3-carboxylic acid
CID 82012551
5-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 82684034
1-(5-amino-4-methylpentanoyl)piperidine-4-carboxamide
CID 82683543
5-amino-1-(4-methoxypiperidin-1-yl)-4-methylpentan-1-one
CID 82017222
5-amino-4-methyl-1-(4-methylazepan-1-yl)pentan-1-one
CID 82689210
5-amino-1-(4-ethoxypiperidin-1-yl)-4-methylpentan-1-one
CID 82010948
N-[1-(5-amino-4-methylpentanoyl)piperidin-4-yl]-2-methylpropanamide
CID 82011596
methyl N-[1-(5-amino-4-methylpentanoyl)pyrrolidin-3-yl]carbamate
CID 113402198
5-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-1-one
CID 82689255

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one?
The IUPAC name of 5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one (CID 82011405) is 5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one?
The canonical SMILES for 5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one is CC(CN)CCC(=O)N1CCC(O)C1.
What is the InChIKey of 5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one?
The InChIKey is RJYXJVVMQYXYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(6-11)2-3-10(14)12-5-4-9(13)7-12/h8-9,13H,2-7,11H2,1H3.
What are the key properties of 5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one?
5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one has a molecular weight of 200.28 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one is sourced from PubChem (CID 82011405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).