2,2,3,3,4,4-hexaaminohexanoic acid

C6H18N6O2 — CID 118047883

IUPAC2,2,3,3,4,4-hexaaminohexanoic acid
SMILESCCC(N)(N)C(N)(N)C(N)(N)C(=O)O
InChIInChI=1S/C6H18N6O2/c1-2-4(7,8)6(11,12)5(9,10)3(13)14/h2,7-12H2,1H3,(H,13,14)
InChIKeySRMJUSXGAMRMDL-UHFFFAOYSA-N
MW206.25 g/mol
LogP-3.68
Rot. Bonds4

About 2,2,3,3,4,4-hexaaminohexanoic acid

2,2,3,3,4,4-hexaaminohexanoic acid (PubChem CID 118047883) has the molecular formula C6H18N6O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexaaminohexanoic acid.

Molecular Properties

Compound Name2,2,3,3,4,4-hexaaminohexanoic acid
PubChem CID118047883
Molecular FormulaC6H18N6O2
Molecular Weight206.25 g/mol
Exact Mass206.15
IUPAC Name2,2,3,3,4,4-hexaaminohexanoic acid
SMILESCCC(N)(N)C(N)(N)C(N)(N)C(=O)O
InChIInChI=1S/C6H18N6O2/c1-2-4(7,8)6(11,12)5(9,10)3(13)14/h2,7-12H2,1H3,(H,13,14)
InChIKeySRMJUSXGAMRMDL-UHFFFAOYSA-N
XLogP-3.68
TPSA193.42 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.25
LogP ≤ 5-3.68
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-2-methylbutanoic acid
CID 6971276
2,3,3-triamino-2-(3-aminopropyl)pentanoic acid
CID 141238758
2-amino-2-iodobutanoic acid
CID 19595827
2-amino-2-sulfanylbutanoic acid
CID 18369133
carbonic acid;3-ethylpentan-3-amine;methanol
CID 174474253
lithium;2-amino-2,3,3-trimethylpentanoic acid;hydride
CID 174387889
(2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 91314303
(2S)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 143658078
2-amino-2-(dimethylamino)butanoic acid
CID 88610523
(2S)-2-amino-2-ethyl-3-methylbutanoic acid
CID 54561958
2,2,3,3-tetraethylbutanedioic acid
CID 23424098
sodium;2-amino-2-(hydroxymethyl)butanoic acid;hydride
CID 174202899

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexaaminohexanoic acid?
The IUPAC name of 2,2,3,3,4,4-hexaaminohexanoic acid (CID 118047883) is 2,2,3,3,4,4-hexaaminohexanoic acid.
What is the SMILES notation for 2,2,3,3,4,4-hexaaminohexanoic acid?
The canonical SMILES for 2,2,3,3,4,4-hexaaminohexanoic acid is CCC(N)(N)C(N)(N)C(N)(N)C(=O)O.
What is the InChIKey of 2,2,3,3,4,4-hexaaminohexanoic acid?
The InChIKey is SRMJUSXGAMRMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N6O2/c1-2-4(7,8)6(11,12)5(9,10)3(13)14/h2,7-12H2,1H3,(H,13,14).
What are the key properties of 2,2,3,3,4,4-hexaaminohexanoic acid?
2,2,3,3,4,4-hexaaminohexanoic acid has a molecular weight of 206.25 g/mol, XLogP of -3.68, 4 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexaaminohexanoic acid is sourced from PubChem (CID 118047883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).