(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid

C12H29N3O10S2 — CID 67172232

IUPAC(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
SMILESCC[C@H](C)[C@H](N)C(=O)NCCN1CCOCC1.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/C12H25N3O2.2H2O4S/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15;2*1-5(2,3)4/h10-11H,3-9,13H2,1-2H3,(H,14,16);2*(H2,1,2,3,4)/t10-,11-;;/m0../s1
InChIKeyZIFQVCFCJSYIQF-ULEGLUPFSA-N
MW439.51 g/mol
LogP-1.50
Rot. Bonds6

About (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid

(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid (PubChem CID 67172232) has the molecular formula C12H29N3O10S2 and a molecular weight of 439.51 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
PubChem CID67172232
Molecular FormulaC12H29N3O10S2
Molecular Weight439.51 g/mol
Exact Mass439.13
IUPAC Name(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
SMILESCC[C@H](C)[C@H](N)C(=O)NCCN1CCOCC1.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/C12H25N3O2.2H2O4S/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15;2*1-5(2,3)4/h10-11H,3-9,13H2,1-2H3,(H,14,16);2*(H2,1,2,3,4)/t10-,11-;;/m0../s1
InChIKeyZIFQVCFCJSYIQF-ULEGLUPFSA-N
XLogP-1.50
TPSA216.79 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.51
LogP ≤ 5-1.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

bis((2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide);oxalic acid
CID 134229716
2-amino-3-ethyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 67174978
2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide
CID 54967720
(2S,3S)-2-amino-3-methyl-N-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)pentanamide
CID 71313294
2-amino-N-(2-morpholin-4-ylethyl)propanamide;dihydrochloride
CID 119827782
2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide
CID 43362927
(2S,3S)-2-amino-3-methyl-N-[2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)ethyl]pentanamide
CID 91971542
(2S)-2-amino-3-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide;dihydrochloride
CID 119863888
methyl 3-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoate
CID 4221669
5-amino-6-methyl-1-morpholin-4-yloctan-4-one
CID 76787155
(2R)-2-amino-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 83300699
N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 162122494

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid (CID 67172232) is (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid is CC[C@H](C)[C@H](N)C(=O)NCCN1CCOCC1.O=S(=O)(O)O.O=S(=O)(O)O.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid?
The InChIKey is ZIFQVCFCJSYIQF-ULEGLUPFSA-N. The full InChI is InChI=1S/C12H25N3O2.2H2O4S/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15;2*1-5(2,3)4/h10-11H,3-9,13H2,1-2H3,(H,14,16);2*(H2,1,2,3,4)/t10-,11-;;/m0../s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid?
(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid has a molecular weight of 439.51 g/mol, XLogP of -1.50, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid is sourced from PubChem (CID 67172232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).