4-amino-5-[methyl(2-methylbutan-2-yl)amino]-5-oxopentanoic acid

C11H22N2O3 — CID 64888587

IUPAC4-amino-5-[methyl(2-methylbutan-2-yl)amino]-5-oxopentanoic acid
SMILESCCC(C)(C)N(C)C(=O)C(N)CCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-11(2,3)13(4)10(16)8(12)6-7-9(14)15/h8H,5-7,12H2,1-4H3,(H,14,15)
InChIKeyZKDHMLQKVSLQER-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.83
Rot. Bonds6

About 4-amino-5-[methyl(2-methylbutan-2-yl)amino]-5-oxopentanoic acid

4-amino-5-[methyl(2-methylbutan-2-yl)amino]-5-oxopentanoic acid (PubChem CID 64888587) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-amino-5-[methyl(2-methylbutan-2-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[methyl(2-methylbutan-2-yl)amino]-5-oxopentanoic acid
PubChem CID64888587
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-amino-5-[methyl(2-methylbutan-2-yl)amino]-5-oxopentanoic acid
SMILESCCC(C)(C)N(C)C(=O)C(N)CCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-11(2,3)13(4)10(16)8(12)6-7-9(14)15/h8H,5-7,12H2,1-4H3,(H,14,15)
InChIKeyZKDHMLQKVSLQER-UHFFFAOYSA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-methyl-N-(2-methylbutan-2-yl)-4-methylsulfanylbutanamide
CID 104908509
(4S)-4-amino-5-[2,2-dihydroxyethyl(methyl)amino]-5-oxopentanoic acid
CID 153453865
(2R)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpentanamide
CID 107570627
4-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
CID 64890077
4,6-diamino-5-oxooctanoic acid
CID 87431132
4-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-oxopentanoic acid
CID 64890082
4-amino-5-[cyclopropyl(methyl)amino]-5-oxopentanoic acid
CID 64895995
(4S)-4-amino-6,6-dimethyl-5-oxoheptanoic acid;sulfane
CID 158948664
4-amino-5-oxo-5-[propan-2-yl(propyl)amino]pentanoic acid
CID 64896188
2-bromo-N-methyl-N-(2-methylbutan-2-yl)butanamide
CID 63964443
(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfanylbutanamide
CID 104863936
4-amino-5-[methyl-[2-(methylamino)ethyl]amino]-5-oxopentanoic acid
CID 64889359

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[methyl(2-methylbutan-2-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[methyl(2-methylbutan-2-yl)amino]-5-oxopentanoic acid (CID 64888587) is 4-amino-5-[methyl(2-methylbutan-2-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[methyl(2-methylbutan-2-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[methyl(2-methylbutan-2-yl)amino]-5-oxopentanoic acid is CCC(C)(C)N(C)C(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-[methyl(2-methylbutan-2-yl)amino]-5-oxopentanoic acid?
The InChIKey is ZKDHMLQKVSLQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-11(2,3)13(4)10(16)8(12)6-7-9(14)15/h8H,5-7,12H2,1-4H3,(H,14,15).
What are the key properties of 4-amino-5-[methyl(2-methylbutan-2-yl)amino]-5-oxopentanoic acid?
4-amino-5-[methyl(2-methylbutan-2-yl)amino]-5-oxopentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[methyl(2-methylbutan-2-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 64888587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).