2,10,10-triaminodecanoic acid

C10H23N3O2 — CID 141091504

IUPAC2,10,10-triaminodecanoic acid
SMILESNC(N)CCCCCCCC(N)C(=O)O
InChIInChI=1S/C10H23N3O2/c11-8(10(14)15)6-4-2-1-3-5-7-9(12)13/h8-9H,1-7,11-13H2,(H,14,15)
InChIKeyGWYYGCDCYWQILI-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.37
Rot. Bonds9

About 2,10,10-triaminodecanoic acid

2,10,10-triaminodecanoic acid (PubChem CID 141091504) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2,10,10-triaminodecanoic acid.

Molecular Properties

Compound Name2,10,10-triaminodecanoic acid
PubChem CID141091504
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name2,10,10-triaminodecanoic acid
SMILESNC(N)CCCCCCCC(N)C(=O)O
InChIInChI=1S/C10H23N3O2/c11-8(10(14)15)6-4-2-1-3-5-7-9(12)13/h8-9H,1-7,11-13H2,(H,14,15)
InChIKeyGWYYGCDCYWQILI-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diaminoheptanedioic acid
CID 865
2,13-diaminotridecanoic acid
CID 141414897
(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
CID 87328180
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminopentacosanoic acid
CID 158815459
2-amino-7-sulfanylheptanoic acid
CID 56957911
2-amino-8-iodooctanoic acid
CID 86114195
(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 2,10,10-triaminodecanoic acid?
The IUPAC name of 2,10,10-triaminodecanoic acid (CID 141091504) is 2,10,10-triaminodecanoic acid.
What is the SMILES notation for 2,10,10-triaminodecanoic acid?
The canonical SMILES for 2,10,10-triaminodecanoic acid is NC(N)CCCCCCCC(N)C(=O)O.
What is the InChIKey of 2,10,10-triaminodecanoic acid?
The InChIKey is GWYYGCDCYWQILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c11-8(10(14)15)6-4-2-1-3-5-7-9(12)13/h8-9H,1-7,11-13H2,(H,14,15).
What are the key properties of 2,10,10-triaminodecanoic acid?
2,10,10-triaminodecanoic acid has a molecular weight of 217.31 g/mol, XLogP of 0.37, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10,10-triaminodecanoic acid is sourced from PubChem (CID 141091504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).