(2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one

C9H18N2O2 — CID 107220086

IUPAC(2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one
SMILESCC(C)C1(O)CN(C(=O)[C@H](C)N)C1
InChIInChI=1S/C9H18N2O2/c1-6(2)9(13)4-11(5-9)8(12)7(3)10/h6-7,13H,4-5,10H2,1-3H3/t7-/m0/s1
InChIKeyLMHVQXYPBROYLK-ZETCQYMHSA-N
MW186.25 g/mol
LogP-0.44
Rot. Bonds2

About (2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one

(2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one (PubChem CID 107220086) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one
PubChem CID107220086
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one
SMILESCC(C)C1(O)CN(C(=O)[C@H](C)N)C1
InChIInChI=1S/C9H18N2O2/c1-6(2)9(13)4-11(5-9)8(12)7(3)10/h6-7,13H,4-5,10H2,1-3H3/t7-/m0/s1
InChIKeyLMHVQXYPBROYLK-ZETCQYMHSA-N
XLogP-0.44
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-3-methylbutan-1-one
CID 107220163
bis((2S)-2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)propan-1-one);dihydrochloride
CID 158386943
(2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one
CID 129496272
2-amino-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
CID 102743719
(2S)-2-amino-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
CID 102743605
3-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-methylpentan-1-one
CID 107220182
2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103355859
azepan-1-yl-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 79152113
2-amino-2-cyclopropyl-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one
CID 107220270
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
1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 107220230

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one (CID 107220086) is (2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one is CC(C)C1(O)CN(C(=O)[C@H](C)N)C1.
What is the InChIKey of (2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one?
The InChIKey is LMHVQXYPBROYLK-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(2)9(13)4-11(5-9)8(12)7(3)10/h6-7,13H,4-5,10H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one?
(2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one is sourced from PubChem (CID 107220086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).