4-[(1-acetyloxy-3-methylbutan-2-yl)amino]-3-amino-4-oxobutanoic acid

C11H20N2O5 — CID 75018302

IUPAC4-[(1-acetyloxy-3-methylbutan-2-yl)amino]-3-amino-4-oxobutanoic acid
SMILESCC(=O)OCC(NC(=O)C(N)CC(=O)O)C(C)C
InChIInChI=1S/C11H20N2O5/c1-6(2)9(5-18-7(3)14)13-11(17)8(12)4-10(15)16/h6,8-9H,4-5,12H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyDQRJPYOIJCVCRB-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.51
Rot. Bonds7

About 4-[(1-acetyloxy-3-methylbutan-2-yl)amino]-3-amino-4-oxobutanoic acid

4-[(1-acetyloxy-3-methylbutan-2-yl)amino]-3-amino-4-oxobutanoic acid (PubChem CID 75018302) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-[(1-acetyloxy-3-methylbutan-2-yl)amino]-3-amino-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(1-acetyloxy-3-methylbutan-2-yl)amino]-3-amino-4-oxobutanoic acid
PubChem CID75018302
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name4-[(1-acetyloxy-3-methylbutan-2-yl)amino]-3-amino-4-oxobutanoic acid
SMILESCC(=O)OCC(NC(=O)C(N)CC(=O)O)C(C)C
InChIInChI=1S/C11H20N2O5/c1-6(2)9(5-18-7(3)14)13-11(17)8(12)4-10(15)16/h6,8-9H,4-5,12H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyDQRJPYOIJCVCRB-UHFFFAOYSA-N
XLogP-0.51
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-[[3-methyl-1-(2-methylpropanoyloxy)butan-2-yl]amino]-4-oxobutanoic acid
CID 54505113
3-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoic acid
CID 107570372
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-[[(1R)-1-carboxyethyl]amino]-4-oxobutanoic acid
CID 22824551
2-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)butanamide
CID 65049176
3-acetyloxy-2-[(3-acetyloxy-2-aminopropanoyl)amino]propanoic acid
CID 16718065
(2R)-2-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-methylsulfanylbutanamide
CID 104908600
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-(2-methylpropoxy)-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
CID 118719103

Frequently Asked Questions

What is the IUPAC name of 4-[(1-acetyloxy-3-methylbutan-2-yl)amino]-3-amino-4-oxobutanoic acid?
The IUPAC name of 4-[(1-acetyloxy-3-methylbutan-2-yl)amino]-3-amino-4-oxobutanoic acid (CID 75018302) is 4-[(1-acetyloxy-3-methylbutan-2-yl)amino]-3-amino-4-oxobutanoic acid.
What is the SMILES notation for 4-[(1-acetyloxy-3-methylbutan-2-yl)amino]-3-amino-4-oxobutanoic acid?
The canonical SMILES for 4-[(1-acetyloxy-3-methylbutan-2-yl)amino]-3-amino-4-oxobutanoic acid is CC(=O)OCC(NC(=O)C(N)CC(=O)O)C(C)C.
What is the InChIKey of 4-[(1-acetyloxy-3-methylbutan-2-yl)amino]-3-amino-4-oxobutanoic acid?
The InChIKey is DQRJPYOIJCVCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-6(2)9(5-18-7(3)14)13-11(17)8(12)4-10(15)16/h6,8-9H,4-5,12H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 4-[(1-acetyloxy-3-methylbutan-2-yl)amino]-3-amino-4-oxobutanoic acid?
4-[(1-acetyloxy-3-methylbutan-2-yl)amino]-3-amino-4-oxobutanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-acetyloxy-3-methylbutan-2-yl)amino]-3-amino-4-oxobutanoic acid is sourced from PubChem (CID 75018302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).