(5-amino-2-oxo-1-phosphonopentyl)phosphonic acid

C5H13NO7P2 — CID 57264590

IUPAC(5-amino-2-oxo-1-phosphonopentyl)phosphonic acid
SMILESNCCCC(=O)C(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C5H13NO7P2/c6-3-1-2-4(7)5(14(8,9)10)15(11,12)13/h5H,1-3,6H2,(H2,8,9,10)(H2,11,12,13)
InChIKeyZVJDQLHOTOUDIX-UHFFFAOYSA-N
MW261.11 g/mol
LogP-1.02
Rot. Bonds6

About (5-amino-2-oxo-1-phosphonopentyl)phosphonic acid

(5-amino-2-oxo-1-phosphonopentyl)phosphonic acid (PubChem CID 57264590) has the molecular formula C5H13NO7P2 and a molecular weight of 261.11 g/mol. Its IUPAC name is (5-amino-2-oxo-1-phosphonopentyl)phosphonic acid.

Molecular Properties

Compound Name(5-amino-2-oxo-1-phosphonopentyl)phosphonic acid
PubChem CID57264590
Molecular FormulaC5H13NO7P2
Molecular Weight261.11 g/mol
Exact Mass261.02
IUPAC Name(5-amino-2-oxo-1-phosphonopentyl)phosphonic acid
SMILESNCCCC(=O)C(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C5H13NO7P2/c6-3-1-2-4(7)5(14(8,9)10)15(11,12)13/h5H,1-3,6H2,(H2,8,9,10)(H2,11,12,13)
InChIKeyZVJDQLHOTOUDIX-UHFFFAOYSA-N
XLogP-1.02
TPSA158.15 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 5-1.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(7-amino-2-oxo-1-phosphonoheptyl)phosphonic acid
CID 57318893
aminomethylphosphonic acid;butane-1,4-diamine
CID 159694397
pentane-1,5-diamine;phosphonomethylphosphonic acid
CID 20502841
4-phosphonobutylphosphonic acid;propane-1,3-diamine
CID 18949670
(2S)-2-acetamido-N-[(2S)-6-amino-3-oxohexan-2-yl]propanamide
CID 141129031
4-aminobutanoic acid;propane-1,2,3-triol
CID 175213071
4-aminobutanoic acid;dihydrochloride
CID 87111723
ethane-1,2-diamine;4-phosphonobutylphosphonic acid
CID 18320900
4-amino-N-(1,3-dihydroxypropan-2-yl)butanamide
CID 65314276
(6-amino-2-hydroxy-3-oxohexyl)-trimethylazanium;chloride;hydrochloride
CID 21126986
(2S)-2,6-diaminohexanoic acid;phosphonomethylphosphonic acid
CID 173046070
3-aminopropylphosphonic acid;dihydroxy(oxo)phosphanium
CID 88769819

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-oxo-1-phosphonopentyl)phosphonic acid?
The IUPAC name of (5-amino-2-oxo-1-phosphonopentyl)phosphonic acid (CID 57264590) is (5-amino-2-oxo-1-phosphonopentyl)phosphonic acid.
What is the SMILES notation for (5-amino-2-oxo-1-phosphonopentyl)phosphonic acid?
The canonical SMILES for (5-amino-2-oxo-1-phosphonopentyl)phosphonic acid is NCCCC(=O)C(P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of (5-amino-2-oxo-1-phosphonopentyl)phosphonic acid?
The InChIKey is ZVJDQLHOTOUDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO7P2/c6-3-1-2-4(7)5(14(8,9)10)15(11,12)13/h5H,1-3,6H2,(H2,8,9,10)(H2,11,12,13).
What are the key properties of (5-amino-2-oxo-1-phosphonopentyl)phosphonic acid?
(5-amino-2-oxo-1-phosphonopentyl)phosphonic acid has a molecular weight of 261.11 g/mol, XLogP of -1.02, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-oxo-1-phosphonopentyl)phosphonic acid is sourced from PubChem (CID 57264590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).