2,7-diamino-2,7-dimethyloctanedioic acid

C10H20N2O4 — CID 18936054

IUPAC2,7-diamino-2,7-dimethyloctanedioic acid
SMILESCC(N)(CCCCC(C)(N)C(=O)O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-9(11,7(13)14)5-3-4-6-10(2,12)8(15)16/h3-6,11-12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyHOYDXHYCTPRHEO-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.15
Rot. Bonds7

About 2,7-diamino-2,7-dimethyloctanedioic acid

2,7-diamino-2,7-dimethyloctanedioic acid (PubChem CID 18936054) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2,7-diamino-2,7-dimethyloctanedioic acid.

Molecular Properties

Compound Name2,7-diamino-2,7-dimethyloctanedioic acid
PubChem CID18936054
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2,7-diamino-2,7-dimethyloctanedioic acid
SMILESCC(N)(CCCCC(C)(N)C(=O)O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-9(11,7(13)14)5-3-4-6-10(2,12)8(15)16/h3-6,11-12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyHOYDXHYCTPRHEO-UHFFFAOYSA-N
XLogP0.15
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-hydroxy-2-methylhexanoic acid
CID 22000473
2,6-diamino-2-methylhexanoic acid
CID 3017540
2,8-diamino-2-methyloctanoic acid
CID 87814639
(2S)-2-amino-6-borono-2-methylhexanoic acid
CID 53249972
2-amino-2-methyldec-9-enoic acid
CID 76833646
(2S)-2-amino-2-methyldec-8-ynoic acid
CID 137350215
2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanoic acid
CID 63700666
2-amino-6-[2-(dimethylamino)ethyl-methylamino]-2-methylhexanoic acid
CID 63699969
(E,2R)-2-amino-2-methyldec-6-enoic acid
CID 102601562
2-amino-2-methyl-5-(4,4,4-trifluorobutoxy)pentanoic acid
CID 82792259
(2S)-2,5-diamino-2-(deuteriomethyl)pentanoic acid
CID 57018880
2-amino-4-methoxy-2-methylbutanoic acid
CID 18323200

Frequently Asked Questions

What is the IUPAC name of 2,7-diamino-2,7-dimethyloctanedioic acid?
The IUPAC name of 2,7-diamino-2,7-dimethyloctanedioic acid (CID 18936054) is 2,7-diamino-2,7-dimethyloctanedioic acid.
What is the SMILES notation for 2,7-diamino-2,7-dimethyloctanedioic acid?
The canonical SMILES for 2,7-diamino-2,7-dimethyloctanedioic acid is CC(N)(CCCCC(C)(N)C(=O)O)C(=O)O.
What is the InChIKey of 2,7-diamino-2,7-dimethyloctanedioic acid?
The InChIKey is HOYDXHYCTPRHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-9(11,7(13)14)5-3-4-6-10(2,12)8(15)16/h3-6,11-12H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2,7-diamino-2,7-dimethyloctanedioic acid?
2,7-diamino-2,7-dimethyloctanedioic acid has a molecular weight of 232.28 g/mol, XLogP of 0.15, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diamino-2,7-dimethyloctanedioic acid is sourced from PubChem (CID 18936054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).