(2S,3S)-2-amino-3-methyl-1-morpholin-4-ylpentan-1-one

C10H20N2O2 — CID 22894947

IUPAC(2S,3S)-2-amino-3-methyl-1-morpholin-4-ylpentan-1-one
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCOCC1
InChIInChI=1S/C10H20N2O2/c1-3-8(2)9(11)10(13)12-4-6-14-7-5-12/h8-9H,3-7,11H2,1-2H3/t8-,9-/m0/s1
InChIKeyLDQFIFFNZXKTIU-IUCAKERBSA-N
MW200.28 g/mol
LogP0.22
Rot. Bonds3

About (2S,3S)-2-amino-3-methyl-1-morpholin-4-ylpentan-1-one

(2S,3S)-2-amino-3-methyl-1-morpholin-4-ylpentan-1-one (PubChem CID 22894947) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-1-morpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-1-morpholin-4-ylpentan-1-one
PubChem CID22894947
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(2S,3S)-2-amino-3-methyl-1-morpholin-4-ylpentan-1-one
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCOCC1
InChIInChI=1S/C10H20N2O2/c1-3-8(2)9(11)10(13)12-4-6-14-7-5-12/h8-9H,3-7,11H2,1-2H3/t8-,9-/m0/s1
InChIKeyLDQFIFFNZXKTIU-IUCAKERBSA-N
XLogP0.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

LM11A-31
CID 18604758
2-amino-3-methyl-N-[2-(morpholin-4-yl)ethyl]pentanamide
CID 11959372
2-Propyl-pentanoic acid (2-morpholin-4-yl-ethyl)-amide
CID 6602917
2-Amino-1-(morpholin-4-yl)butan-1-one
CID 22273198
(2S)-2-[[(2S)-2-[acetyl(3-ethoxypropyl)amino]-4-methylpentanoyl]amino]-4-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 45273241
(2S,3S)-2-amino-3-methyl-1-(piperidin-1-yl)pentan-1-one
CID 10821833
2-Amino-4-methyl-1-(morpholin-4-YL)pentan-1-one
CID 21355341
3-Methyl-1-oxo-1-piperidin-1-ylpentan-2-aminium
CID 24692381
2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide dihydrochloride
CID 43810708
(2S)-2-amino-1-(morpholin-4-yl)butan-1-one hydrochloride
CID 86690681
(2S)-2-amino-3-methyl-1-(morpholin-4-yl)butan-1-one
CID 14963842
2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 2165494

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-1-morpholin-4-ylpentan-1-one?
The IUPAC name of (2S,3S)-2-amino-3-methyl-1-morpholin-4-ylpentan-1-one (CID 22894947) is (2S,3S)-2-amino-3-methyl-1-morpholin-4-ylpentan-1-one.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-1-morpholin-4-ylpentan-1-one?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-1-morpholin-4-ylpentan-1-one is CC[C@H](C)[C@H](N)C(=O)N1CCOCC1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-1-morpholin-4-ylpentan-1-one?
The InChIKey is LDQFIFFNZXKTIU-IUCAKERBSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-8(2)9(11)10(13)12-4-6-14-7-5-12/h8-9H,3-7,11H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-1-morpholin-4-ylpentan-1-one?
(2S,3S)-2-amino-3-methyl-1-morpholin-4-ylpentan-1-one has a molecular weight of 200.28 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-1-morpholin-4-ylpentan-1-one is sourced from PubChem (CID 22894947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).