(4S)-4-(methylamino)pentan-2-one

C6H13NO — CID 93497476

IUPAC(4S)-4-(methylamino)pentan-2-one
SMILESCN[C@@H](C)CC(C)=O
InChIInChI=1S/C6H13NO/c1-5(7-3)4-6(2)8/h5,7H,4H2,1-3H3/t5-/m0/s1
InChIKeyZZNHGYWZZHEEDY-YFKPBYRVSA-N
MW115.18 g/mol
LogP0.57
Rot. Bonds3

About (4S)-4-(methylamino)pentan-2-one

(4S)-4-(methylamino)pentan-2-one (PubChem CID 93497476) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (4S)-4-(methylamino)pentan-2-one.

Molecular Properties

Compound Name(4S)-4-(methylamino)pentan-2-one
PubChem CID93497476
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(4S)-4-(methylamino)pentan-2-one
SMILESCN[C@@H](C)CC(C)=O
InChIInChI=1S/C6H13NO/c1-5(7-3)4-6(2)8/h5,7H,4H2,1-3H3/t5-/m0/s1
InChIKeyZZNHGYWZZHEEDY-YFKPBYRVSA-N
XLogP0.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(methylamino)pentan-2-one?
The IUPAC name of (4S)-4-(methylamino)pentan-2-one (CID 93497476) is (4S)-4-(methylamino)pentan-2-one.
What is the SMILES notation for (4S)-4-(methylamino)pentan-2-one?
The canonical SMILES for (4S)-4-(methylamino)pentan-2-one is CN[C@@H](C)CC(C)=O.
What is the InChIKey of (4S)-4-(methylamino)pentan-2-one?
The InChIKey is ZZNHGYWZZHEEDY-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(7-3)4-6(2)8/h5,7H,4H2,1-3H3/t5-/m0/s1.
What are the key properties of (4S)-4-(methylamino)pentan-2-one?
(4S)-4-(methylamino)pentan-2-one has a molecular weight of 115.18 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(methylamino)pentan-2-one is sourced from PubChem (CID 93497476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).