N-[1-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-methylprop-2-enamide

C13H22N4O7 — CID 88870162

IUPACN-[1-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CO)C(N)=O
InChIInChI=1S/C13H22N4O7/c1-6(2)11(22)16-8(4-19)13(24)17-9(5-20)12(23)15-7(3-18)10(14)21/h7-9,18-20H,1,3-5H2,2H3,(H2,14,21)(H,15,23)(H,16,22)(H,17,24)
InChIKeyMPIKTNPWPPAOIM-UHFFFAOYSA-N
MW346.34 g/mol
LogP-4.52
Rot. Bonds10

About N-[1-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-methylprop-2-enamide

N-[1-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-methylprop-2-enamide (PubChem CID 88870162) has the molecular formula C13H22N4O7 and a molecular weight of 346.34 g/mol. Its IUPAC name is N-[1-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[1-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-methylprop-2-enamide
PubChem CID88870162
Molecular FormulaC13H22N4O7
Molecular Weight346.34 g/mol
Exact Mass346.15
IUPAC NameN-[1-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CO)C(N)=O
InChIInChI=1S/C13H22N4O7/c1-6(2)11(22)16-8(4-19)13(24)17-9(5-20)12(23)15-7(3-18)10(14)21/h7-9,18-20H,1,3-5H2,2H3,(H2,14,21)(H,15,23)(H,16,22)(H,17,24)
InChIKeyMPIKTNPWPPAOIM-UHFFFAOYSA-N
XLogP-4.52
TPSA191.08 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.34
LogP ≤ 5-4.52
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[1-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-methylprop-2-enamide with MolForge

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Related Compounds

6-amino-2-[[6-amino-2-(2-methylprop-2-enoylamino)hexanoyl]amino]-N-[1-amino-6-(2-methylprop-2-enoylamino)-1-oxohexan-2-yl]hexanamide
CID 88854923
(2S)-2-amino-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide
CID 138624808
N-(1,2-dihydroxyethyl)-2-methylprop-2-enamide
CID 88801162
methyl (2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-4-methyl-2-(2-methylprop-2-enoylamino)pentanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoate
CID 101115101
(2S,3R)-2-amino-N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxybutanamide
CID 153393689
N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-methylprop-2-enamide
CID 19980707
N-(1-amino-1-oxopropan-2-yl)-2-[(2-hydrazinyl-3-hydroxypropanoyl)amino]-3-hydroxypropanamide
CID 126634892
2-amino-3-hydroxy-N-(1-hydroxy-3-oxobutan-2-yl)propanamide
CID 138527125
(3S)-4-amino-3-[[(2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
CID 88573174
3-hydroxy-2-(methylamino)propanamide
CID 14241499
(2S)-3-hydroxy-2-(methylamino)propanamide
CID 10486833
(4R)-4-[[2-[[(2R)-2-[[2-[[(2R)-2-[[2-[[(2R)-2-[[2-[[(2R)-2-[(2-acetamido-4-amino-4-oxobutanoyl)amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-5-[(1,4-diamino-1,4-dioxobutan-2-yl)amino]-5-oxopentanoic acid
CID 155280251

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-methylprop-2-enamide?
The IUPAC name of N-[1-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-methylprop-2-enamide (CID 88870162) is N-[1-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[1-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-methylprop-2-enamide?
The canonical SMILES for N-[1-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-methylprop-2-enamide is C=C(C)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CO)C(N)=O.
What is the InChIKey of N-[1-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-methylprop-2-enamide?
The InChIKey is MPIKTNPWPPAOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O7/c1-6(2)11(22)16-8(4-19)13(24)17-9(5-20)12(23)15-7(3-18)10(14)21/h7-9,18-20H,1,3-5H2,2H3,(H2,14,21)(H,15,23)(H,16,22)(H,17,24).
What are the key properties of N-[1-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-methylprop-2-enamide?
N-[1-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-methylprop-2-enamide has a molecular weight of 346.34 g/mol, XLogP of -4.52, 10 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-methylprop-2-enamide is sourced from PubChem (CID 88870162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).