8-amino-7-(phosphonomethyl)nonanoic acid

C10H22NO5P — CID 100975380

IUPAC8-amino-7-(phosphonomethyl)nonanoic acid
SMILESCC(N)C(CCCCCC(=O)O)CP(=O)(O)O
InChIInChI=1S/C10H22NO5P/c1-8(11)9(7-17(14,15)16)5-3-2-4-6-10(12)13/h8-9H,2-7,11H2,1H3,(H,12,13)(H2,14,15,16)
InChIKeyIMDIHLQGSKNOIG-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.16
Rot. Bonds9

About 8-amino-7-(phosphonomethyl)nonanoic acid

8-amino-7-(phosphonomethyl)nonanoic acid (PubChem CID 100975380) has the molecular formula C10H22NO5P and a molecular weight of 267.26 g/mol. Its IUPAC name is 8-amino-7-(phosphonomethyl)nonanoic acid.

Molecular Properties

Compound Name8-amino-7-(phosphonomethyl)nonanoic acid
PubChem CID100975380
Molecular FormulaC10H22NO5P
Molecular Weight267.26 g/mol
Exact Mass267.12
IUPAC Name8-amino-7-(phosphonomethyl)nonanoic acid
SMILESCC(N)C(CCCCCC(=O)O)CP(=O)(O)O
InChIInChI=1S/C10H22NO5P/c1-8(11)9(7-17(14,15)16)5-3-2-4-6-10(12)13/h8-9H,2-7,11H2,1H3,(H,12,13)(H2,14,15,16)
InChIKeyIMDIHLQGSKNOIG-UHFFFAOYSA-N
XLogP1.16
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.16
H-Bond Donors ≤ 54
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

(3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;14-methylpentadecanoic acid
CID 172699305
11-methyldodecanoic acid;phosphoric acid
CID 130194142
14-aminopentadecanoic acid
CID 87306551
10-aminoundecanoic acid
CID 3771397
(6S)-6-aminoheptanoic acid
CID 54134193
6,12-diaminoheptadecanedioic acid
CID 23455605
4-propan-2-yltridecanedioic acid
CID 89462397
18-amino-17-(15-carboxypentadecylamino)nonadecanoic acid
CID 54385697
5-aminododecanedioic acid
CID 3835680
16-methylheptadecanoic acid
CID 87200881
19-methylheptatriacontanedioic acid
CID 141009772
7-amino-6-methyloctanoic acid;chloromethane
CID 175463739

Frequently Asked Questions

What is the IUPAC name of 8-amino-7-(phosphonomethyl)nonanoic acid?
The IUPAC name of 8-amino-7-(phosphonomethyl)nonanoic acid (CID 100975380) is 8-amino-7-(phosphonomethyl)nonanoic acid.
What is the SMILES notation for 8-amino-7-(phosphonomethyl)nonanoic acid?
The canonical SMILES for 8-amino-7-(phosphonomethyl)nonanoic acid is CC(N)C(CCCCCC(=O)O)CP(=O)(O)O.
What is the InChIKey of 8-amino-7-(phosphonomethyl)nonanoic acid?
The InChIKey is IMDIHLQGSKNOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO5P/c1-8(11)9(7-17(14,15)16)5-3-2-4-6-10(12)13/h8-9H,2-7,11H2,1H3,(H,12,13)(H2,14,15,16).
What are the key properties of 8-amino-7-(phosphonomethyl)nonanoic acid?
8-amino-7-(phosphonomethyl)nonanoic acid has a molecular weight of 267.26 g/mol, XLogP of 1.16, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-(phosphonomethyl)nonanoic acid is sourced from PubChem (CID 100975380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).