2,4,6-triaminoheptanedioic acid

C7H15N3O4 — CID 71362819

IUPAC2,4,6-triaminoheptanedioic acid
SMILESNC(CC(N)C(=O)O)CC(N)C(=O)O
InChIInChI=1S/C7H15N3O4/c8-3(1-4(9)6(11)12)2-5(10)7(13)14/h3-5H,1-2,8-10H2,(H,11,12)(H,13,14)
InChIKeyDYDIAQYPMYZMDR-UHFFFAOYSA-N
MW205.21 g/mol
LogP-2.08
Rot. Bonds6

About 2,4,6-triaminoheptanedioic acid

2,4,6-triaminoheptanedioic acid (PubChem CID 71362819) has the molecular formula C7H15N3O4 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2,4,6-triaminoheptanedioic acid.

Molecular Properties

Compound Name2,4,6-triaminoheptanedioic acid
PubChem CID71362819
Molecular FormulaC7H15N3O4
Molecular Weight205.21 g/mol
Exact Mass205.11
IUPAC Name2,4,6-triaminoheptanedioic acid
SMILESNC(CC(N)C(=O)O)CC(N)C(=O)O
InChIInChI=1S/C7H15N3O4/c8-3(1-4(9)6(11)12)2-5(10)7(13)14/h3-5H,1-2,8-10H2,(H,11,12)(H,13,14)
InChIKeyDYDIAQYPMYZMDR-UHFFFAOYSA-N
XLogP-2.08
TPSA152.66 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-2.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-triaminoheptanedioic acid?
The IUPAC name of 2,4,6-triaminoheptanedioic acid (CID 71362819) is 2,4,6-triaminoheptanedioic acid.
What is the SMILES notation for 2,4,6-triaminoheptanedioic acid?
The canonical SMILES for 2,4,6-triaminoheptanedioic acid is NC(CC(N)C(=O)O)CC(N)C(=O)O.
What is the InChIKey of 2,4,6-triaminoheptanedioic acid?
The InChIKey is DYDIAQYPMYZMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O4/c8-3(1-4(9)6(11)12)2-5(10)7(13)14/h3-5H,1-2,8-10H2,(H,11,12)(H,13,14).
What are the key properties of 2,4,6-triaminoheptanedioic acid?
2,4,6-triaminoheptanedioic acid has a molecular weight of 205.21 g/mol, XLogP of -2.08, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triaminoheptanedioic acid is sourced from PubChem (CID 71362819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).