2,7,10-triaminodecanoic acid

C10H23N3O2 — CID 141070703

IUPAC2,7,10-triaminodecanoic acid
SMILESNCCCC(N)CCCCC(N)C(=O)O
InChIInChI=1S/C10H23N3O2/c11-7-3-5-8(12)4-1-2-6-9(13)10(14)15/h8-9H,1-7,11-13H2,(H,14,15)
InChIKeyDSKONLCFFKFQSU-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.02
Rot. Bonds9

About 2,7,10-triaminodecanoic acid

2,7,10-triaminodecanoic acid (PubChem CID 141070703) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2,7,10-triaminodecanoic acid.

Molecular Properties

Compound Name2,7,10-triaminodecanoic acid
PubChem CID141070703
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name2,7,10-triaminodecanoic acid
SMILESNCCCC(N)CCCCC(N)C(=O)O
InChIInChI=1S/C10H23N3O2/c11-7-3-5-8(12)4-1-2-6-9(13)10(14)15/h8-9H,1-7,11-13H2,(H,14,15)
InChIKeyDSKONLCFFKFQSU-UHFFFAOYSA-N
XLogP0.02
TPSA115.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.02
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

2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
2,13-diaminotridecanoic acid
CID 141414897
(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
CID 87328180
zinc 2,5-diaminopentanoic acid
CID 56838280
bis(2,5-diaminopentanoic acid);trihydrochloride
CID 175233947
butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid
CID 87187240
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
cerium;(2R)-2,5-diaminopentanoic acid
CID 175036694
(2S)-2,6-diaminohexanoic acid;gold
CID 174858889
2-amino-6-(15N)azanylhexanoic acid;dihydrochloride
CID 45157533
bis((2R)-2,5-diaminopentanoic acid);formaldehyde
CID 174922370
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479

Frequently Asked Questions

What is the IUPAC name of 2,7,10-triaminodecanoic acid?
The IUPAC name of 2,7,10-triaminodecanoic acid (CID 141070703) is 2,7,10-triaminodecanoic acid.
What is the SMILES notation for 2,7,10-triaminodecanoic acid?
The canonical SMILES for 2,7,10-triaminodecanoic acid is NCCCC(N)CCCCC(N)C(=O)O.
What is the InChIKey of 2,7,10-triaminodecanoic acid?
The InChIKey is DSKONLCFFKFQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c11-7-3-5-8(12)4-1-2-6-9(13)10(14)15/h8-9H,1-7,11-13H2,(H,14,15).
What are the key properties of 2,7,10-triaminodecanoic acid?
2,7,10-triaminodecanoic acid has a molecular weight of 217.31 g/mol, XLogP of 0.02, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,10-triaminodecanoic acid is sourced from PubChem (CID 141070703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).