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

C26H52N6O8 — CID 134229716

IUPACbis((2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide);oxalic acid
SMILESCC[C@H](C)[C@H](N)C(=O)NCCN1CCOCC1.CC[C@H](C)[C@H](N)C(=O)NCCN1CCOCC1.O=C(O)C(=O)O
InChIInChI=1S/2C12H25N3O2.C2H2O4/c2*1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15;3-1(4)2(5)6/h2*10-11H,3-9,13H2,1-2H3,(H,14,16);(H,3,4)(H,5,6)/t2*10-,11-;/m00./s1
InChIKeyMYTZGALLVLKRGN-XTQNZXNBSA-N
MW576.74 g/mol
LogP-1.23
Rot. Bonds12

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

bis((2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide);oxalic acid (PubChem CID 134229716) has the molecular formula C26H52N6O8 and a molecular weight of 576.74 g/mol. Its IUPAC name is bis((2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide);oxalic acid.

Molecular Properties

Compound Namebis((2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide);oxalic acid
PubChem CID134229716
Molecular FormulaC26H52N6O8
Molecular Weight576.74 g/mol
Exact Mass576.38
IUPAC Namebis((2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide);oxalic acid
SMILESCC[C@H](C)[C@H](N)C(=O)NCCN1CCOCC1.CC[C@H](C)[C@H](N)C(=O)NCCN1CCOCC1.O=C(O)C(=O)O
InChIInChI=1S/2C12H25N3O2.C2H2O4/c2*1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15;3-1(4)2(5)6/h2*10-11H,3-9,13H2,1-2H3,(H,14,16);(H,3,4)(H,5,6)/t2*10-,11-;/m00./s1
InChIKeyMYTZGALLVLKRGN-XTQNZXNBSA-N
XLogP-1.23
TPSA209.78 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.74
LogP ≤ 5-1.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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

(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 67172232
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
(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
2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide
CID 43362927
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
butan-2-yl N-(2-morpholin-4-ylethyl)carbamate;molecular hydrogen
CID 154661230

Frequently Asked Questions

What is the IUPAC name of bis((2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide);oxalic acid?
The IUPAC name of bis((2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide);oxalic acid (CID 134229716) is bis((2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide);oxalic acid.
What is the SMILES notation for bis((2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide);oxalic acid?
The canonical SMILES for bis((2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide);oxalic acid is CC[C@H](C)[C@H](N)C(=O)NCCN1CCOCC1.CC[C@H](C)[C@H](N)C(=O)NCCN1CCOCC1.O=C(O)C(=O)O.
What is the InChIKey of bis((2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide);oxalic acid?
The InChIKey is MYTZGALLVLKRGN-XTQNZXNBSA-N. The full InChI is InChI=1S/2C12H25N3O2.C2H2O4/c2*1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15;3-1(4)2(5)6/h2*10-11H,3-9,13H2,1-2H3,(H,14,16);(H,3,4)(H,5,6)/t2*10-,11-;/m00./s1.
What are the key properties of bis((2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide);oxalic acid?
bis((2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide);oxalic acid has a molecular weight of 576.74 g/mol, XLogP of -1.23, 12 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide);oxalic acid is sourced from PubChem (CID 134229716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).