2-amino-9-(oxo-λ5-phosphanylidyne)nonanoic acid

C9H16NO3P — CID 164896225

IUPAC2-amino-9-(oxo-λ5-phosphanylidyne)nonanoic acid
SMILESNC(CCCCCCC#P=O)C(=O)O
InChIInChI=1S/C9H16NO3P/c10-8(9(11)12)6-4-2-1-3-5-7-14-13/h8H,1-6,10H2,(H,11,12)
InChIKeyKUCDBACIWLXXGA-UHFFFAOYSA-N
MW217.20 g/mol
LogP1.99
Rot. Bonds7

About 2-amino-9-(oxo-λ5-phosphanylidyne)nonanoic acid

2-amino-9-(oxo-λ5-phosphanylidyne)nonanoic acid (PubChem CID 164896225) has the molecular formula C9H16NO3P and a molecular weight of 217.20 g/mol. Its IUPAC name is 2-amino-9-(oxo-λ5-phosphanylidyne)nonanoic acid.

Molecular Properties

Compound Name2-amino-9-(oxo-λ5-phosphanylidyne)nonanoic acid
PubChem CID164896225
Molecular FormulaC9H16NO3P
Molecular Weight217.20 g/mol
Exact Mass217.09
IUPAC Name2-amino-9-(oxo-λ5-phosphanylidyne)nonanoic acid
SMILESNC(CCCCCCC#P=O)C(=O)O
InChIInChI=1S/C9H16NO3P/c10-8(9(11)12)6-4-2-1-3-5-7-14-13/h8H,1-6,10H2,(H,11,12)
InChIKeyKUCDBACIWLXXGA-UHFFFAOYSA-N
XLogP1.99
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', '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
(2R)-2-aminooct-7-ynoic acid
CID 87403836
2-amino-7-sulfanylheptanoic acid
CID 56957911
2,10,10-triaminodecanoic acid
CID 141091504
2,6-diaminoheptanedioic acid
CID 865
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2,13-diaminotridecanoic acid
CID 141414897
(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
CID 87328180
(2S)-2-aminododecanoic acid
CID 10560640
2-amino-8-iodooctanoic acid
CID 86114195
2-aminotetracosanoic acid
CID 88730229

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-(oxo-λ5-phosphanylidyne)nonanoic acid?
The IUPAC name of 2-amino-9-(oxo-λ5-phosphanylidyne)nonanoic acid (CID 164896225) is 2-amino-9-(oxo-λ5-phosphanylidyne)nonanoic acid.
What is the SMILES notation for 2-amino-9-(oxo-λ5-phosphanylidyne)nonanoic acid?
The canonical SMILES for 2-amino-9-(oxo-λ5-phosphanylidyne)nonanoic acid is NC(CCCCCCC#P=O)C(=O)O.
What is the InChIKey of 2-amino-9-(oxo-λ5-phosphanylidyne)nonanoic acid?
The InChIKey is KUCDBACIWLXXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NO3P/c10-8(9(11)12)6-4-2-1-3-5-7-14-13/h8H,1-6,10H2,(H,11,12).
What are the key properties of 2-amino-9-(oxo-λ5-phosphanylidyne)nonanoic acid?
2-amino-9-(oxo-λ5-phosphanylidyne)nonanoic acid has a molecular weight of 217.20 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-(oxo-λ5-phosphanylidyne)nonanoic acid is sourced from PubChem (CID 164896225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).