amino 2-aminododecanoate

C12H26N2O2 — CID 174504612

IUPACamino 2-aminododecanoate
SMILESCCCCCCCCCCC(N)C(=O)ON
InChIInChI=1S/C12H26N2O2/c1-2-3-4-5-6-7-8-9-10-11(13)12(15)16-14/h11H,2-10,13-14H2,1H3
InChIKeyFTLSJSDNFDBFOO-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.26
Rot. Bonds10

About amino 2-aminododecanoate

amino 2-aminododecanoate (PubChem CID 174504612) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is amino 2-aminododecanoate.

Molecular Properties

Compound Nameamino 2-aminododecanoate
PubChem CID174504612
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Nameamino 2-aminododecanoate
SMILESCCCCCCCCCCC(N)C(=O)ON
InChIInChI=1S/C12H26N2O2/c1-2-3-4-5-6-7-8-9-10-11(13)12(15)16-14/h11H,2-10,13-14H2,1H3
InChIKeyFTLSJSDNFDBFOO-UHFFFAOYSA-N
XLogP2.26
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-aminotridecanoate
CID 88583666
methyl 2-aminononadecanoate
CID 140839745
methyl 2-aminoheptadecanoate
CID 140839752
dodecyl 2-aminododecanoate
CID 175586127
tert-butyl 2-aminooctadecanoate
CID 85318598
2-aminotetracosanoic acid
CID 88730229
amino (2S)-2,6-diaminohexanoate
CID 18651785
(2S)-2-aminopentacosanoic acid
CID 158815459
(2S)-2-aminododecanoic acid
CID 10560640
2-aminooxycarbonyltridecanoic acid
CID 118615071
hexadecyl (2S)-2-aminohexanoate
CID 10808138
2-amino-N-methyltetradecanamide
CID 88912425

Frequently Asked Questions

What is the IUPAC name of amino 2-aminododecanoate?
The IUPAC name of amino 2-aminododecanoate (CID 174504612) is amino 2-aminododecanoate.
What is the SMILES notation for amino 2-aminododecanoate?
The canonical SMILES for amino 2-aminododecanoate is CCCCCCCCCCC(N)C(=O)ON.
What is the InChIKey of amino 2-aminododecanoate?
The InChIKey is FTLSJSDNFDBFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-2-3-4-5-6-7-8-9-10-11(13)12(15)16-14/h11H,2-10,13-14H2,1H3.
What are the key properties of amino 2-aminododecanoate?
amino 2-aminododecanoate has a molecular weight of 230.35 g/mol, XLogP of 2.26, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-aminododecanoate is sourced from PubChem (CID 174504612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).