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

C8H16N2O2 — CID 93086372

IUPAC(2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCC[C@@H](O)C1
InChIInChI=1S/C8H16N2O2/c1-6(9)8(12)10-4-2-3-7(11)5-10/h6-7,11H,2-5,9H2,1H3/t6-,7+/m0/s1
InChIKeyCZOVPHJIISSNIE-NKWVEPMBSA-N
MW172.23 g/mol
LogP-0.68
Rot. Bonds1

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

(2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one (PubChem CID 93086372) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one
PubChem CID93086372
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCC[C@@H](O)C1
InChIInChI=1S/C8H16N2O2/c1-6(9)8(12)10-4-2-3-7(11)5-10/h6-7,11H,2-5,9H2,1H3/t6-,7+/m0/s1
InChIKeyCZOVPHJIISSNIE-NKWVEPMBSA-N
XLogP-0.68
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43503084
(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 86323735
1-[(3S)-3-hydroxypiperidin-1-yl]-2,3-dimethylbutan-1-one
CID 107224947
2-amino-1-(3-chloropiperidin-1-yl)propan-1-one
CID 77143696
2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride
CID 130694728
(2S)-2-amino-1-[(3R)-3-fluoropiperidin-1-yl]propan-1-one
CID 129493259
(2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 93318647
2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
CID 53484454
(2S)-2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
CID 53484456
2-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-1-one
CID 63151715
(2S)-2-amino-1-[(3S)-3-(difluoromethyl)piperidin-1-yl]propan-1-one
CID 129499730
(2S)-2-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-1-one
CID 63151458

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one (CID 93086372) is (2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one is C[C@H](N)C(=O)N1CCC[C@@H](O)C1.
What is the InChIKey of (2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one?
The InChIKey is CZOVPHJIISSNIE-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(9)8(12)10-4-2-3-7(11)5-10/h6-7,11H,2-5,9H2,1H3/t6-,7+/m0/s1.
What are the key properties of (2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one?
(2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one has a molecular weight of 172.23 g/mol, XLogP of -0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one is sourced from PubChem (CID 93086372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).