4-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-5-oxopentanoic acid

C11H22N2O4 — CID 65049349

IUPAC4-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-5-oxopentanoic acid
SMILESCOCC(NC(=O)C(N)CCC(=O)O)C(C)C
InChIInChI=1S/C11H22N2O4/c1-7(2)9(6-17-3)13-11(16)8(12)4-5-10(14)15/h7-9H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyIQNWZTUOEJFOPC-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.03
Rot. Bonds8

About 4-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-5-oxopentanoic acid

4-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-5-oxopentanoic acid (PubChem CID 65049349) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-5-oxopentanoic acid
PubChem CID65049349
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name4-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-5-oxopentanoic acid
SMILESCOCC(NC(=O)C(N)CCC(=O)O)C(C)C
InChIInChI=1S/C11H22N2O4/c1-7(2)9(6-17-3)13-11(16)8(12)4-5-10(14)15/h7-9H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyIQNWZTUOEJFOPC-UHFFFAOYSA-N
XLogP-0.03
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)butanamide
CID 65049176
2-amino-3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)propanamide
CID 81101107
2-amino-5-methoxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide
CID 81101222
(2R)-2-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-methylsulfanylbutanamide
CID 104908600
(2S)-2-[(2-amino-3-methoxypropanoyl)amino]pentanedioic acid
CID 81089262
2-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methoxypentanamide
CID 81100884
3-amino-4-[[3-methyl-1-(2-methylpropanoyloxy)butan-2-yl]amino]-4-oxobutanoic acid
CID 54505113
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
4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid
CID 64890122
4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-4-oxobutanoic acid
CID 65048259
(4R)-4-amino-5-methoxy-5-oxopentanoic acid
CID 54301988

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-5-oxopentanoic acid (CID 65049349) is 4-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-5-oxopentanoic acid is COCC(NC(=O)C(N)CCC(=O)O)C(C)C.
What is the InChIKey of 4-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-5-oxopentanoic acid?
The InChIKey is IQNWZTUOEJFOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-7(2)9(6-17-3)13-11(16)8(12)4-5-10(14)15/h7-9H,4-6,12H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 4-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-5-oxopentanoic acid?
4-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-5-oxopentanoic acid has a molecular weight of 246.31 g/mol, XLogP of -0.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 65049349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).