(2S,3S)-2-amino-3-methyl-N-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)pentanamide

C12H25N3O2 — CID 71313294

IUPAC(2S,3S)-2-amino-3-methyl-N-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)pentanamide
SMILES[2H]C([2H])(NC(=O)[C@@H](N)[C@@H](C)CC)C([2H])([2H])N1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)/t10-,11-/m0/s1/i4D2,5D2
InChIKeyYNMUTYLWSRFTPX-DAZOLCNCSA-N
MW247.38 g/mol
LogP-0.19
Rot. Bonds6

About (2S,3S)-2-amino-3-methyl-N-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)pentanamide

(2S,3S)-2-amino-3-methyl-N-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)pentanamide (PubChem CID 71313294) has the molecular formula C12H25N3O2 and a molecular weight of 247.38 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)pentanamide
PubChem CID71313294
Molecular FormulaC12H25N3O2
Molecular Weight247.38 g/mol
Exact Mass247.22
IUPAC Name(2S,3S)-2-amino-3-methyl-N-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)pentanamide
SMILES[2H]C([2H])(NC(=O)[C@@H](N)[C@@H](C)CC)C([2H])([2H])N1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)/t10-,11-/m0/s1/i4D2,5D2
InChIKeyYNMUTYLWSRFTPX-DAZOLCNCSA-N
XLogP-0.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-2-amino-3-methyl-N-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)pentanamide with MolForge

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Related Compounds

bis((2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide);oxalic acid
CID 134229716
(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 67172232
N-(1,1-dideuterio-2-morpholin-4-ylethyl)-2,3-dimethylpentanamide
CID 89296356
2-amino-3-ethyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 67174978
(2S,3S)-2-amino-3-methyl-N-[2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)ethyl]pentanamide
CID 91971542
5-amino-6-methyl-1-morpholin-4-yloctan-4-one
CID 76787155
2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide
CID 54967720
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
2-amino-3-methyl-N-(oxan-4-yl)pentanamide
CID 43610144
2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide
CID 43362927
(2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide
CID 58441866
N-[(2S)-2-amino-3-methylpentyl]-3-morpholin-4-ylpropanamide
CID 68721250

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)pentanamide (CID 71313294) is (2S,3S)-2-amino-3-methyl-N-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)pentanamide is [2H]C([2H])(NC(=O)[C@@H](N)[C@@H](C)CC)C([2H])([2H])N1CCOCC1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)pentanamide?
The InChIKey is YNMUTYLWSRFTPX-DAZOLCNCSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)/t10-,11-/m0/s1/i4D2,5D2.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)pentanamide?
(2S,3S)-2-amino-3-methyl-N-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)pentanamide has a molecular weight of 247.38 g/mol, XLogP of -0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)pentanamide is sourced from PubChem (CID 71313294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).