bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminopentanedioate

C19H39N3O4 — CID 154979440

IUPACbis(4-amino-2,4-dimethylpentan-2-yl) 2-aminopentanedioate
SMILESCC(C)(N)CC(C)(C)OC(=O)CCC(N)C(=O)OC(C)(C)CC(C)(C)N
InChIInChI=1S/C19H39N3O4/c1-16(2,21)11-18(5,6)25-14(23)10-9-13(20)15(24)26-19(7,8)12-17(3,4)22/h13H,9-12,20-22H2,1-8H3
InChIKeyNILNGFHAOLQLGZ-UHFFFAOYSA-N
MW373.54 g/mol
LogP1.99
Rot. Bonds10

About bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminopentanedioate

bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminopentanedioate (PubChem CID 154979440) has the molecular formula C19H39N3O4 and a molecular weight of 373.54 g/mol. Its IUPAC name is bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminopentanedioate.

Molecular Properties

Compound Namebis(4-amino-2,4-dimethylpentan-2-yl) 2-aminopentanedioate
PubChem CID154979440
Molecular FormulaC19H39N3O4
Molecular Weight373.54 g/mol
Exact Mass373.29
IUPAC Namebis(4-amino-2,4-dimethylpentan-2-yl) 2-aminopentanedioate
SMILESCC(C)(N)CC(C)(C)OC(=O)CCC(N)C(=O)OC(C)(C)CC(C)(C)N
InChIInChI=1S/C19H39N3O4/c1-16(2,21)11-18(5,6)25-14(23)10-9-13(20)15(24)26-19(7,8)12-17(3,4)22/h13H,9-12,20-22H2,1-8H3
InChIKeyNILNGFHAOLQLGZ-UHFFFAOYSA-N
XLogP1.99
TPSA130.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminobutanedioate
CID 154979439
(4-amino-2,4-dimethylpentan-2-yl) 4-methyliodanuidylpentanoate
CID 163508677
(2R)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 7016383
(4-amino-2,4-dimethylpentan-2-yl) 3-ethoxy-3-methylbutanoate
CID 165041539
ditert-butyl (2S)-2-aminoheptanedioate
CID 129411968
1-O-tert-butyl 5-O-[(2-methylpropan-2-yl)oxycarbonyl] (2S)-2-aminopentanedioate
CID 122423644
(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate
CID 21119691
tert-butyl (4R)-4-aminopentanoate
CID 58781983
tert-butyl (2S)-2-amino-5-methylhex-5-enoate
CID 155170397
[2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl] 2-amino-9-(methylamino)-9-oxononanoate
CID 54259887
bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-aminopentanedioate
CID 87686493
(4-amino-2,4-dimethylpentan-2-yl) 2,2,4,4-tetramethylpentanoate
CID 129171605

Frequently Asked Questions

What is the IUPAC name of bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminopentanedioate?
The IUPAC name of bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminopentanedioate (CID 154979440) is bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminopentanedioate.
What is the SMILES notation for bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminopentanedioate?
The canonical SMILES for bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminopentanedioate is CC(C)(N)CC(C)(C)OC(=O)CCC(N)C(=O)OC(C)(C)CC(C)(C)N.
What is the InChIKey of bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminopentanedioate?
The InChIKey is NILNGFHAOLQLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O4/c1-16(2,21)11-18(5,6)25-14(23)10-9-13(20)15(24)26-19(7,8)12-17(3,4)22/h13H,9-12,20-22H2,1-8H3.
What are the key properties of bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminopentanedioate?
bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminopentanedioate has a molecular weight of 373.54 g/mol, XLogP of 1.99, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminopentanedioate is sourced from PubChem (CID 154979440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).