amino 5-phosphorosopentanoate;pentanoic acid

C10H20NO5P — CID 174921550

IUPACamino 5-phosphorosopentanoate;pentanoic acid
SMILESCCCCC(=O)O.NOC(=O)CCCCP=O
InChIInChI=1S/C5H10NO3P.C5H10O2/c6-9-5(7)3-1-2-4-10-8;1-2-3-4-5(6)7/h1-4,6H2;2-4H2,1H3,(H,6,7)
InChIKeyJEESDKSAQFJKRB-UHFFFAOYSA-N
MW265.25 g/mol
LogP2.13
Rot. Bonds8

About amino 5-phosphorosopentanoate;pentanoic acid

amino 5-phosphorosopentanoate;pentanoic acid (PubChem CID 174921550) has the molecular formula C10H20NO5P and a molecular weight of 265.25 g/mol. Its IUPAC name is amino 5-phosphorosopentanoate;pentanoic acid.

Molecular Properties

Compound Nameamino 5-phosphorosopentanoate;pentanoic acid
PubChem CID174921550
Molecular FormulaC10H20NO5P
Molecular Weight265.25 g/mol
Exact Mass265.11
IUPAC Nameamino 5-phosphorosopentanoate;pentanoic acid
SMILESCCCCC(=O)O.NOC(=O)CCCCP=O
InChIInChI=1S/C5H10NO3P.C5H10O2/c6-9-5(7)3-1-2-4-10-8;1-2-3-4-5(6)7/h1-4,6H2;2-4H2,1H3,(H,6,7)
InChIKeyJEESDKSAQFJKRB-UHFFFAOYSA-N
XLogP2.13
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

amino 4-phosphorosobutanoate
CID 87689252
amino (Z)-octadec-9-enoate
CID 87082504
ethyl octanoate;octanoic acid
CID 18625122
bis(dibutyl pentanedioate);hexanedioic acid
CID 174889262
decanedioic acid;dibutyl hexanedioate
CID 126582409
8-dodecanoyloxy-8-oxooctanoic acid
CID 175147193
9-decanoyloxy-9-oxononanoic acid
CID 170637743
lanthanum;pentanoic acid
CID 88604988
CID 159436476
CID 159436476
ethane;pentanoic acid
CID 142198531
pentanoic acid;silver
CID 87285302
diamino tetradecanedioate
CID 174564109

Frequently Asked Questions

What is the IUPAC name of amino 5-phosphorosopentanoate;pentanoic acid?
The IUPAC name of amino 5-phosphorosopentanoate;pentanoic acid (CID 174921550) is amino 5-phosphorosopentanoate;pentanoic acid.
What is the SMILES notation for amino 5-phosphorosopentanoate;pentanoic acid?
The canonical SMILES for amino 5-phosphorosopentanoate;pentanoic acid is CCCCC(=O)O.NOC(=O)CCCCP=O.
What is the InChIKey of amino 5-phosphorosopentanoate;pentanoic acid?
The InChIKey is JEESDKSAQFJKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO3P.C5H10O2/c6-9-5(7)3-1-2-4-10-8;1-2-3-4-5(6)7/h1-4,6H2;2-4H2,1H3,(H,6,7).
What are the key properties of amino 5-phosphorosopentanoate;pentanoic acid?
amino 5-phosphorosopentanoate;pentanoic acid has a molecular weight of 265.25 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino 5-phosphorosopentanoate;pentanoic acid is sourced from PubChem (CID 174921550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).