(2R,8R)-2,8-diaminononanedioic acid

C9H18N2O4 — CID 6994849

IUPAC(2R,8R)-2,8-diaminononanedioic acid
SMILESN[C@H](CCCCC[C@@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C9H18N2O4/c10-6(8(12)13)4-2-1-3-5-7(11)9(14)15/h6-7H,1-5,10-11H2,(H,12,13)(H,14,15)/t6-,7-/m1/s1
InChIKeyCZBYDJTWLGVCEV-RNFRBKRXSA-N
MW218.25 g/mol
LogP-0.24
Rot. Bonds8

About (2R,8R)-2,8-diaminononanedioic acid

(2R,8R)-2,8-diaminononanedioic acid (PubChem CID 6994849) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2R,8R)-2,8-diaminononanedioic acid.

Molecular Properties

Compound Name(2R,8R)-2,8-diaminononanedioic acid
PubChem CID6994849
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name(2R,8R)-2,8-diaminononanedioic acid
SMILESN[C@H](CCCCC[C@@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C9H18N2O4/c10-6(8(12)13)4-2-1-3-5-7(11)9(14)15/h6-7H,1-5,10-11H2,(H,12,13)(H,14,15)/t6-,7-/m1/s1
InChIKeyCZBYDJTWLGVCEV-RNFRBKRXSA-N
XLogP-0.24
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.24
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

(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,10,10-triaminodecanoic acid
CID 141091504
2,6-diaminoheptanedioic acid
CID 865
2,13-diaminotridecanoic acid
CID 141414897
(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
CID 87328180
2-amino-8-iodooctanoic acid
CID 86114195
2-aminotetracosanoic acid
CID 88730229
2-amino-7-sulfanylheptanoic acid
CID 56957911
(2S)-2-aminopentacosanoic acid
CID 158815459
(2S)-2-aminododecanoic acid
CID 10560640
2-amino-21-methyldocosanoic acid
CID 10926747
(2R)-2-amino-6-hydroxyhexanoic acid
CID 5288041

Frequently Asked Questions

What is the IUPAC name of (2R,8R)-2,8-diaminononanedioic acid?
The IUPAC name of (2R,8R)-2,8-diaminononanedioic acid (CID 6994849) is (2R,8R)-2,8-diaminononanedioic acid.
What is the SMILES notation for (2R,8R)-2,8-diaminononanedioic acid?
The canonical SMILES for (2R,8R)-2,8-diaminononanedioic acid is N[C@H](CCCCC[C@@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2R,8R)-2,8-diaminononanedioic acid?
The InChIKey is CZBYDJTWLGVCEV-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H18N2O4/c10-6(8(12)13)4-2-1-3-5-7(11)9(14)15/h6-7H,1-5,10-11H2,(H,12,13)(H,14,15)/t6-,7-/m1/s1.
What are the key properties of (2R,8R)-2,8-diaminononanedioic acid?
(2R,8R)-2,8-diaminononanedioic acid has a molecular weight of 218.25 g/mol, XLogP of -0.24, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8R)-2,8-diaminononanedioic acid is sourced from PubChem (CID 6994849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).