(2S)-2-(tert-butylamino)-1-hydroxypentan-3-one

C9H19NO2 — CID 89135586

IUPAC(2S)-2-(tert-butylamino)-1-hydroxypentan-3-one
SMILESCCC(=O)[C@H](CO)NC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-5-8(12)7(6-11)10-9(2,3)4/h7,10-11H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyPLFAYRDXZFFWTF-ZETCQYMHSA-N
MW173.26 g/mol
LogP0.71
Rot. Bonds4

About (2S)-2-(tert-butylamino)-1-hydroxypentan-3-one

(2S)-2-(tert-butylamino)-1-hydroxypentan-3-one (PubChem CID 89135586) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S)-2-(tert-butylamino)-1-hydroxypentan-3-one.

Molecular Properties

Compound Name(2S)-2-(tert-butylamino)-1-hydroxypentan-3-one
PubChem CID89135586
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2S)-2-(tert-butylamino)-1-hydroxypentan-3-one
SMILESCCC(=O)[C@H](CO)NC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-5-8(12)7(6-11)10-9(2,3)4/h7,10-11H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyPLFAYRDXZFFWTF-ZETCQYMHSA-N
XLogP0.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(tert-butylamino)-6-methylheptan-3-one
CID 88965299
3-(tert-butylamino)-4-oxohexanamide
CID 89253656
(2R)-2-(tert-butylamino)-3-hydroxypropanamide
CID 87261665
3-(tert-butylamino)pentan-2-one
CID 123205051
5-(tert-butylamino)-1,11-dihydroxy-2,10-bis(hydroxymethyl)undecane-4,8-dione
CID 157158562
2-(tert-butylamino)-4-hydroxybutanoic acid
CID 83695715
3-(tert-butylamino)-1-propan-2-yloxypentan-2-one
CID 134460862
4-(ethylamino)hexan-3-one
CID 91533412
4-(ethylamino)-9,9-dimethyldecan-3-one
CID 89032970
1-amino-2-(tert-butylamino)-4,4-dimethylpentan-3-one
CID 58520717
(2S)-2-(tert-butylamino)-4,4-dimethyl-1-sulfanylpentan-3-one
CID 130318731
4-hydroxy-5,5-dimethylhexan-3-one
CID 12692178

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(tert-butylamino)-1-hydroxypentan-3-one?
The IUPAC name of (2S)-2-(tert-butylamino)-1-hydroxypentan-3-one (CID 89135586) is (2S)-2-(tert-butylamino)-1-hydroxypentan-3-one.
What is the SMILES notation for (2S)-2-(tert-butylamino)-1-hydroxypentan-3-one?
The canonical SMILES for (2S)-2-(tert-butylamino)-1-hydroxypentan-3-one is CCC(=O)[C@H](CO)NC(C)(C)C.
What is the InChIKey of (2S)-2-(tert-butylamino)-1-hydroxypentan-3-one?
The InChIKey is PLFAYRDXZFFWTF-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-8(12)7(6-11)10-9(2,3)4/h7,10-11H,5-6H2,1-4H3/t7-/m0/s1.
What are the key properties of (2S)-2-(tert-butylamino)-1-hydroxypentan-3-one?
(2S)-2-(tert-butylamino)-1-hydroxypentan-3-one has a molecular weight of 173.26 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(tert-butylamino)-1-hydroxypentan-3-one is sourced from PubChem (CID 89135586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).