(2S)-2-amino-1-cyclopropyl-3-methylbutan-1-one

C8H15NO — CID 59677798

IUPAC(2S)-2-amino-1-cyclopropyl-3-methylbutan-1-one
SMILESCC(C)[C@H](N)C(=O)C1CC1
InChIInChI=1S/C8H15NO/c1-5(2)7(9)8(10)6-3-4-6/h5-7H,3-4,9H2,1-2H3/t7-/m0/s1
InChIKeyOIUXRCBKXRFLIY-ZETCQYMHSA-N
MW141.21 g/mol
LogP0.95
Rot. Bonds3

About (2S)-2-amino-1-cyclopropyl-3-methylbutan-1-one

(2S)-2-amino-1-cyclopropyl-3-methylbutan-1-one (PubChem CID 59677798) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2S)-2-amino-1-cyclopropyl-3-methylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-cyclopropyl-3-methylbutan-1-one
PubChem CID59677798
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2S)-2-amino-1-cyclopropyl-3-methylbutan-1-one
SMILESCC(C)[C@H](N)C(=O)C1CC1
InChIInChI=1S/C8H15NO/c1-5(2)7(9)8(10)6-3-4-6/h5-7H,3-4,9H2,1-2H3/t7-/m0/s1
InChIKeyOIUXRCBKXRFLIY-ZETCQYMHSA-N
XLogP0.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-cyclopropyl-3-methylbutan-1-one?
The IUPAC name of (2S)-2-amino-1-cyclopropyl-3-methylbutan-1-one (CID 59677798) is (2S)-2-amino-1-cyclopropyl-3-methylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-1-cyclopropyl-3-methylbutan-1-one?
The canonical SMILES for (2S)-2-amino-1-cyclopropyl-3-methylbutan-1-one is CC(C)[C@H](N)C(=O)C1CC1.
What is the InChIKey of (2S)-2-amino-1-cyclopropyl-3-methylbutan-1-one?
The InChIKey is OIUXRCBKXRFLIY-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO/c1-5(2)7(9)8(10)6-3-4-6/h5-7H,3-4,9H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-2-amino-1-cyclopropyl-3-methylbutan-1-one?
(2S)-2-amino-1-cyclopropyl-3-methylbutan-1-one has a molecular weight of 141.21 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-cyclopropyl-3-methylbutan-1-one is sourced from PubChem (CID 59677798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).