(2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one

C10H20N2O2 — CID 93318647

IUPAC(2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
SMILESCCC[C@H](N)C(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C10H20N2O2/c1-2-4-9(11)10(14)12-6-3-5-8(13)7-12/h8-9,13H,2-7,11H2,1H3/t8-,9-/m0/s1
InChIKeyDCONWMGUAQOISK-IUCAKERBSA-N
MW200.28 g/mol
LogP0.10
Rot. Bonds3

About (2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one

(2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one (PubChem CID 93318647) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
PubChem CID93318647
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
SMILESCCC[C@H](N)C(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C10H20N2O2/c1-2-4-9(11)10(14)12-6-3-5-8(13)7-12/h8-9,13H,2-7,11H2,1H3/t8-,9-/m0/s1
InChIKeyDCONWMGUAQOISK-IUCAKERBSA-N
XLogP0.10
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 43649995
2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride
CID 119307771
2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220
2-amino-1-(3-propylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119337251
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
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]pentan-1-one
CID 103796555
1-[(2R)-2-aminopentanoyl]-N-methylpiperidine-3-carboxamide
CID 103796757
2-amino-1-(4-tert-butylazepan-1-yl)pentan-1-one;hydrochloride
CID 119326049
2-(aminomethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylpentan-1-one
CID 107472973
3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid
CID 103870704
2-amino-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pentan-1-one
CID 119294723

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one?
The IUPAC name of (2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one (CID 93318647) is (2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one is CCC[C@H](N)C(=O)N1CCC[C@H](O)C1.
What is the InChIKey of (2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one?
The InChIKey is DCONWMGUAQOISK-IUCAKERBSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-4-9(11)10(14)12-6-3-5-8(13)7-12/h8-9,13H,2-7,11H2,1H3/t8-,9-/m0/s1.
What are the key properties of (2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one?
(2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one has a molecular weight of 200.28 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one is sourced from PubChem (CID 93318647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).