(7-amino-2-oxo-1-phosphonoheptyl)phosphonic acid

C7H17NO7P2 — CID 57318893

IUPAC(7-amino-2-oxo-1-phosphonoheptyl)phosphonic acid
SMILESNCCCCCC(=O)C(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C7H17NO7P2/c8-5-3-1-2-4-6(9)7(16(10,11)12)17(13,14)15/h7H,1-5,8H2,(H2,10,11,12)(H2,13,14,15)
InChIKeyCPVZPELYHQTTHF-UHFFFAOYSA-N
MW289.16 g/mol
LogP-0.24
Rot. Bonds8

About (7-amino-2-oxo-1-phosphonoheptyl)phosphonic acid

(7-amino-2-oxo-1-phosphonoheptyl)phosphonic acid (PubChem CID 57318893) has the molecular formula C7H17NO7P2 and a molecular weight of 289.16 g/mol. Its IUPAC name is (7-amino-2-oxo-1-phosphonoheptyl)phosphonic acid.

Molecular Properties

Compound Name(7-amino-2-oxo-1-phosphonoheptyl)phosphonic acid
PubChem CID57318893
Molecular FormulaC7H17NO7P2
Molecular Weight289.16 g/mol
Exact Mass289.05
IUPAC Name(7-amino-2-oxo-1-phosphonoheptyl)phosphonic acid
SMILESNCCCCCC(=O)C(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C7H17NO7P2/c8-5-3-1-2-4-6(9)7(16(10,11)12)17(13,14)15/h7H,1-5,8H2,(H2,10,11,12)(H2,13,14,15)
InChIKeyCPVZPELYHQTTHF-UHFFFAOYSA-N
XLogP-0.24
TPSA158.15 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 5-0.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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

(5-amino-2-oxo-1-phosphonopentyl)phosphonic acid
CID 57264590
pentane-1,5-diamine;phosphonomethylphosphonic acid
CID 20502841
aminomethylphosphonic acid;butane-1,4-diamine
CID 159694397
11-amino-3-methylundecan-4-one
CID 176580818
16-aminohexadecanamide
CID 86033165
tris(11-aminoundecanoate);gold(3+)
CID 173276062
10-amino-1-methoxy-3-methyldecan-4-one
CID 116551483
heptanedioic acid;hexane-1,6-diamine
CID 174639050
nonanedioic acid;tridecane-1,13-diamine
CID 21330241
(4S)-4,23-diamino-2-methyltricosan-5-one
CID 150736114
9-amino-2-(6-aminohexyl)-3-oxononanal
CID 91427609
amino 8-aminooctanoate
CID 87659694

Frequently Asked Questions

What is the IUPAC name of (7-amino-2-oxo-1-phosphonoheptyl)phosphonic acid?
The IUPAC name of (7-amino-2-oxo-1-phosphonoheptyl)phosphonic acid (CID 57318893) is (7-amino-2-oxo-1-phosphonoheptyl)phosphonic acid.
What is the SMILES notation for (7-amino-2-oxo-1-phosphonoheptyl)phosphonic acid?
The canonical SMILES for (7-amino-2-oxo-1-phosphonoheptyl)phosphonic acid is NCCCCCC(=O)C(P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of (7-amino-2-oxo-1-phosphonoheptyl)phosphonic acid?
The InChIKey is CPVZPELYHQTTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO7P2/c8-5-3-1-2-4-6(9)7(16(10,11)12)17(13,14)15/h7H,1-5,8H2,(H2,10,11,12)(H2,13,14,15).
What are the key properties of (7-amino-2-oxo-1-phosphonoheptyl)phosphonic acid?
(7-amino-2-oxo-1-phosphonoheptyl)phosphonic acid has a molecular weight of 289.16 g/mol, XLogP of -0.24, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-2-oxo-1-phosphonoheptyl)phosphonic acid is sourced from PubChem (CID 57318893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).