2-[[3,3-dimethyl-2-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]butanoyl]amino]propanoic acid

C19H28N4O5 — CID 77398435

IUPAC2-[[3,3-dimethyl-2-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]butanoyl]amino]propanoic acid
SMILESCC(NC(=O)C(NC(=O)c1ccnc(N2CCOCC2)c1)C(C)(C)C)C(=O)O
InChIInChI=1S/C19H28N4O5/c1-12(18(26)27)21-17(25)15(19(2,3)4)22-16(24)13-5-6-20-14(11-13)23-7-9-28-10-8-23/h5-6,11-12,15H,7-10H2,1-4H3,(H,21,25)(H,22,24)(H,26,27)
InChIKeyYBPWVEJDKCDPST-UHFFFAOYSA-N
MW392.46 g/mol
LogP0.65
Rot. Bonds6

About 2-[[3,3-dimethyl-2-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]butanoyl]amino]propanoic acid

2-[[3,3-dimethyl-2-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]butanoyl]amino]propanoic acid (PubChem CID 77398435) has the molecular formula C19H28N4O5 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[[3,3-dimethyl-2-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]butanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[3,3-dimethyl-2-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]butanoyl]amino]propanoic acid
PubChem CID77398435
Molecular FormulaC19H28N4O5
Molecular Weight392.46 g/mol
Exact Mass392.21
IUPAC Name2-[[3,3-dimethyl-2-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]butanoyl]amino]propanoic acid
SMILESCC(NC(=O)C(NC(=O)c1ccnc(N2CCOCC2)c1)C(C)(C)C)C(=O)O
InChIInChI=1S/C19H28N4O5/c1-12(18(26)27)21-17(25)15(19(2,3)4)22-16(24)13-5-6-20-14(11-13)23-7-9-28-10-8-23/h5-6,11-12,15H,7-10H2,1-4H3,(H,21,25)(H,22,24)(H,26,27)
InChIKeyYBPWVEJDKCDPST-UHFFFAOYSA-N
XLogP0.65
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[3,3-dimethyl-2-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]butanoyl]amino]propanoic acid with MolForge

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Related Compounds

N-[(2S)-3,3-dimethyl-1-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 56598160
N-(2-hydroxypropyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 84574824
N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 51585948
tert-butyl 2-morpholin-4-ylpyridine-4-carboxylate
CID 2762943
2-[[2-(1,3-benzothiazole-6-carbonylamino)-3,3-dimethylbutanoyl]amino]propanoic acid
CID 78030802
2-morpholin-4-yl-N-(1,3-oxazol-2-yl)pyridine-4-carboxamide
CID 162429786
N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyridine-4-carboxamide
CID 117083309
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
N-(3-aminophenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 22238130
2-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109168033
(2S)-2-acetamido-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32584933
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 46968940

Frequently Asked Questions

What is the IUPAC name of 2-[[3,3-dimethyl-2-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]butanoyl]amino]propanoic acid?
The IUPAC name of 2-[[3,3-dimethyl-2-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]butanoyl]amino]propanoic acid (CID 77398435) is 2-[[3,3-dimethyl-2-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]butanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[3,3-dimethyl-2-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]butanoyl]amino]propanoic acid?
The canonical SMILES for 2-[[3,3-dimethyl-2-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]butanoyl]amino]propanoic acid is CC(NC(=O)C(NC(=O)c1ccnc(N2CCOCC2)c1)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[3,3-dimethyl-2-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]butanoyl]amino]propanoic acid?
The InChIKey is YBPWVEJDKCDPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O5/c1-12(18(26)27)21-17(25)15(19(2,3)4)22-16(24)13-5-6-20-14(11-13)23-7-9-28-10-8-23/h5-6,11-12,15H,7-10H2,1-4H3,(H,21,25)(H,22,24)(H,26,27).
What are the key properties of 2-[[3,3-dimethyl-2-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]butanoyl]amino]propanoic acid?
2-[[3,3-dimethyl-2-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]butanoyl]amino]propanoic acid has a molecular weight of 392.46 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,3-dimethyl-2-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]butanoyl]amino]propanoic acid is sourced from PubChem (CID 77398435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).