(2S,3S)-2-amino-3-methyl-N-[2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)ethyl]pentanamide

C12H25N3O2 — CID 91971542

IUPAC(2S,3S)-2-amino-3-methyl-N-[2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)ethyl]pentanamide
SMILES[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(CCNC(=O)[C@@H](N)[C@@H](C)CC)C1([2H])[2H]
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/i6D2,7D2,8D2,9D2
InChIKeyYNMUTYLWSRFTPX-VACLCWEGSA-N
MW251.40 g/mol
LogP-0.19
Rot. Bonds6

About (2S,3S)-2-amino-3-methyl-N-[2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)ethyl]pentanamide

(2S,3S)-2-amino-3-methyl-N-[2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)ethyl]pentanamide (PubChem CID 91971542) has the molecular formula C12H25N3O2 and a molecular weight of 251.40 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-[2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)ethyl]pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-[2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)ethyl]pentanamide
PubChem CID91971542
Molecular FormulaC12H25N3O2
Molecular Weight251.40 g/mol
Exact Mass251.24
IUPAC Name(2S,3S)-2-amino-3-methyl-N-[2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)ethyl]pentanamide
SMILES[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(CCNC(=O)[C@@H](N)[C@@H](C)CC)C1([2H])[2H]
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/i6D2,7D2,8D2,9D2
InChIKeyYNMUTYLWSRFTPX-VACLCWEGSA-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 ≤ 500251.40
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-2-amino-3-methyl-N-[2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)ethyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis((2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide);oxalic acid
CID 134229716
2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide
CID 54967720
(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 67172232
2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide
CID 43362927
(2S,3S)-2-amino-3-methyl-N-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)pentanamide
CID 71313294
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
N-(2-acetamidoethyl)-2-amino-3-methylpentanamide
CID 43552884
2-amino-3-ethyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 67174978
(2S)-2-amino-3-methyl-N-(2-pyrazol-1-ylethyl)pentanamide
CID 61460950
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936
(2S)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-methylpentanamide
CID 61174087
2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 119677886

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-[2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)ethyl]pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-[2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)ethyl]pentanamide (CID 91971542) is (2S,3S)-2-amino-3-methyl-N-[2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)ethyl]pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-[2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)ethyl]pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-[2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)ethyl]pentanamide is [2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(CCNC(=O)[C@@H](N)[C@@H](C)CC)C1([2H])[2H].
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-[2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)ethyl]pentanamide?
The InChIKey is YNMUTYLWSRFTPX-VACLCWEGSA-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/i6D2,7D2,8D2,9D2.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-[2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)ethyl]pentanamide?
(2S,3S)-2-amino-3-methyl-N-[2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)ethyl]pentanamide has a molecular weight of 251.40 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-[2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)ethyl]pentanamide is sourced from PubChem (CID 91971542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).