(3S)-3-(tert-butylamino)butan-2-one

C8H17NO — CID 815659

IUPAC(3S)-3-(tert-butylamino)butan-2-one
SMILESCC(=O)[C@H](C)NC(C)(C)C
InChIInChI=1S/C8H17NO/c1-6(7(2)10)9-8(3,4)5/h6,9H,1-5H3/t6-/m0/s1
InChIKeyJSPAFIBWRAKWRY-LURJTMIESA-N
MW143.23 g/mol
LogP1.35
Rot. Bonds2

About (3S)-3-(tert-butylamino)butan-2-one

(3S)-3-(tert-butylamino)butan-2-one (PubChem CID 815659) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (3S)-3-(tert-butylamino)butan-2-one.

Molecular Properties

Compound Name(3S)-3-(tert-butylamino)butan-2-one
PubChem CID815659
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(3S)-3-(tert-butylamino)butan-2-one
SMILESCC(=O)[C@H](C)NC(C)(C)C
InChIInChI=1S/C8H17NO/c1-6(7(2)10)9-8(3,4)5/h6,9H,1-5H3/t6-/m0/s1
InChIKeyJSPAFIBWRAKWRY-LURJTMIESA-N
XLogP1.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(tert-butylamino)butan-2-one?
The IUPAC name of (3S)-3-(tert-butylamino)butan-2-one (CID 815659) is (3S)-3-(tert-butylamino)butan-2-one.
What is the SMILES notation for (3S)-3-(tert-butylamino)butan-2-one?
The canonical SMILES for (3S)-3-(tert-butylamino)butan-2-one is CC(=O)[C@H](C)NC(C)(C)C.
What is the InChIKey of (3S)-3-(tert-butylamino)butan-2-one?
The InChIKey is JSPAFIBWRAKWRY-LURJTMIESA-N. The full InChI is InChI=1S/C8H17NO/c1-6(7(2)10)9-8(3,4)5/h6,9H,1-5H3/t6-/m0/s1.
What are the key properties of (3S)-3-(tert-butylamino)butan-2-one?
(3S)-3-(tert-butylamino)butan-2-one has a molecular weight of 143.23 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(tert-butylamino)butan-2-one is sourced from PubChem (CID 815659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).