2-amino-6-[(7-amino-7-methyl-6-oxononyl)amino]-6-methyl-5-oxooctanoic acid

C19H37N3O4 — CID 89064724

IUPAC2-amino-6-[(7-amino-7-methyl-6-oxononyl)amino]-6-methyl-5-oxooctanoic acid
SMILESCCC(C)(N)C(=O)CCCCCNC(C)(CC)C(=O)CCC(N)C(=O)O
InChIInChI=1S/C19H37N3O4/c1-5-18(3,21)15(23)10-8-7-9-13-22-19(4,6-2)16(24)12-11-14(20)17(25)26/h14,22H,5-13,20-21H2,1-4H3,(H,25,26)
InChIKeyZLVNGGFZQPZISB-UHFFFAOYSA-N
MW371.52 g/mol
LogP1.76
Rot. Bonds15

About 2-amino-6-[(7-amino-7-methyl-6-oxononyl)amino]-6-methyl-5-oxooctanoic acid

2-amino-6-[(7-amino-7-methyl-6-oxononyl)amino]-6-methyl-5-oxooctanoic acid (PubChem CID 89064724) has the molecular formula C19H37N3O4 and a molecular weight of 371.52 g/mol. Its IUPAC name is 2-amino-6-[(7-amino-7-methyl-6-oxononyl)amino]-6-methyl-5-oxooctanoic acid.

Molecular Properties

Compound Name2-amino-6-[(7-amino-7-methyl-6-oxononyl)amino]-6-methyl-5-oxooctanoic acid
PubChem CID89064724
Molecular FormulaC19H37N3O4
Molecular Weight371.52 g/mol
Exact Mass371.28
IUPAC Name2-amino-6-[(7-amino-7-methyl-6-oxononyl)amino]-6-methyl-5-oxooctanoic acid
SMILESCCC(C)(N)C(=O)CCCCCNC(C)(CC)C(=O)CCC(N)C(=O)O
InChIInChI=1S/C19H37N3O4/c1-5-18(3,21)15(23)10-8-7-9-13-22-19(4,6-2)16(24)12-11-14(20)17(25)26/h14,22H,5-13,20-21H2,1-4H3,(H,25,26)
InChIKeyZLVNGGFZQPZISB-UHFFFAOYSA-N
XLogP1.76
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 20563070
CID 20563077
CID 20563077
CID 20563085
CID 20563085
CID 20563098
CID 20563098
CID 20563106
CID 20563106
CID 20563112
CID 20563112
CID 20563116
CID 20563116
CID 21971428
CID 21971428

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(7-amino-7-methyl-6-oxononyl)amino]-6-methyl-5-oxooctanoic acid?
The IUPAC name of 2-amino-6-[(7-amino-7-methyl-6-oxononyl)amino]-6-methyl-5-oxooctanoic acid (CID 89064724) is 2-amino-6-[(7-amino-7-methyl-6-oxononyl)amino]-6-methyl-5-oxooctanoic acid.
What is the SMILES notation for 2-amino-6-[(7-amino-7-methyl-6-oxononyl)amino]-6-methyl-5-oxooctanoic acid?
The canonical SMILES for 2-amino-6-[(7-amino-7-methyl-6-oxononyl)amino]-6-methyl-5-oxooctanoic acid is CCC(C)(N)C(=O)CCCCCNC(C)(CC)C(=O)CCC(N)C(=O)O.
What is the InChIKey of 2-amino-6-[(7-amino-7-methyl-6-oxononyl)amino]-6-methyl-5-oxooctanoic acid?
The InChIKey is ZLVNGGFZQPZISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O4/c1-5-18(3,21)15(23)10-8-7-9-13-22-19(4,6-2)16(24)12-11-14(20)17(25)26/h14,22H,5-13,20-21H2,1-4H3,(H,25,26).
What are the key properties of 2-amino-6-[(7-amino-7-methyl-6-oxononyl)amino]-6-methyl-5-oxooctanoic acid?
2-amino-6-[(7-amino-7-methyl-6-oxononyl)amino]-6-methyl-5-oxooctanoic acid has a molecular weight of 371.52 g/mol, XLogP of 1.76, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(7-amino-7-methyl-6-oxononyl)amino]-6-methyl-5-oxooctanoic acid is sourced from PubChem (CID 89064724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).