3-amino-4-[[3-methyl-1-(2-methylpropanoyloxy)butan-2-yl]amino]-4-oxobutanoic acid

C13H24N2O5 — CID 54505113

IUPAC3-amino-4-[[3-methyl-1-(2-methylpropanoyloxy)butan-2-yl]amino]-4-oxobutanoic acid
SMILESCC(C)C(=O)OCC(NC(=O)C(N)CC(=O)O)C(C)C
InChIInChI=1S/C13H24N2O5/c1-7(2)10(6-20-13(19)8(3)4)15-12(18)9(14)5-11(16)17/h7-10H,5-6,14H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyYFDBOARWAZXXQE-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.13
Rot. Bonds8

About 3-amino-4-[[3-methyl-1-(2-methylpropanoyloxy)butan-2-yl]amino]-4-oxobutanoic acid

3-amino-4-[[3-methyl-1-(2-methylpropanoyloxy)butan-2-yl]amino]-4-oxobutanoic acid (PubChem CID 54505113) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-amino-4-[[3-methyl-1-(2-methylpropanoyloxy)butan-2-yl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-[[3-methyl-1-(2-methylpropanoyloxy)butan-2-yl]amino]-4-oxobutanoic acid
PubChem CID54505113
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name3-amino-4-[[3-methyl-1-(2-methylpropanoyloxy)butan-2-yl]amino]-4-oxobutanoic acid
SMILESCC(C)C(=O)OCC(NC(=O)C(N)CC(=O)O)C(C)C
InChIInChI=1S/C13H24N2O5/c1-7(2)10(6-20-13(19)8(3)4)15-12(18)9(14)5-11(16)17/h7-10H,5-6,14H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyYFDBOARWAZXXQE-UHFFFAOYSA-N
XLogP0.13
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-4-[[3-methyl-1-(2-methylpropanoyloxy)butan-2-yl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

4-[(1-acetyloxy-3-methylbutan-2-yl)amino]-3-amino-4-oxobutanoic acid
CID 75018302
3-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoic acid
CID 107570372
(3S)-3-amino-4-[[(2R,3R)-3-hydroxy-1-(2-methylpropoxy)-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
CID 118719103
2-amino-3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)propanamide
CID 81101107
4-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-5-oxopentanoic acid
CID 65049349
3-amino-4-(1-carboxypropan-2-ylamino)-4-oxobutanoic acid
CID 64895941
3-amino-4-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 64895300
3-amino-4-[1-(2-methylbutanoyloxy)propan-2-ylamino]-4-oxobutanoic acid
CID 75018262
3-amino-4-[[(1R)-1-carboxyethyl]amino]-4-oxobutanoic acid
CID 22824551
2-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)butanamide
CID 65049176
3-amino-4-[(1-amino-1-oxopropan-2-yl)amino]-4-oxobutanoic acid;hydrate
CID 21447998
(3S)-3-amino-4-[[(2R,3R)-3-hydroxy-1-oxo-1-propoxybutan-2-yl]amino]-4-oxobutanoic acid
CID 118719106

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[3-methyl-1-(2-methylpropanoyloxy)butan-2-yl]amino]-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-[[3-methyl-1-(2-methylpropanoyloxy)butan-2-yl]amino]-4-oxobutanoic acid (CID 54505113) is 3-amino-4-[[3-methyl-1-(2-methylpropanoyloxy)butan-2-yl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-[[3-methyl-1-(2-methylpropanoyloxy)butan-2-yl]amino]-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-[[3-methyl-1-(2-methylpropanoyloxy)butan-2-yl]amino]-4-oxobutanoic acid is CC(C)C(=O)OCC(NC(=O)C(N)CC(=O)O)C(C)C.
What is the InChIKey of 3-amino-4-[[3-methyl-1-(2-methylpropanoyloxy)butan-2-yl]amino]-4-oxobutanoic acid?
The InChIKey is YFDBOARWAZXXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-7(2)10(6-20-13(19)8(3)4)15-12(18)9(14)5-11(16)17/h7-10H,5-6,14H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 3-amino-4-[[3-methyl-1-(2-methylpropanoyloxy)butan-2-yl]amino]-4-oxobutanoic acid?
3-amino-4-[[3-methyl-1-(2-methylpropanoyloxy)butan-2-yl]amino]-4-oxobutanoic acid has a molecular weight of 288.34 g/mol, XLogP of 0.13, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[3-methyl-1-(2-methylpropanoyloxy)butan-2-yl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 54505113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).