4-amino-4-[hydroxy(5-methylhexyl)phosphoryl]butanoic acid

C11H24NO4P — CID 151942933

IUPAC4-amino-4-[hydroxy(5-methylhexyl)phosphoryl]butanoic acid
SMILESCC(C)CCCCP(=O)(O)C(N)CCC(=O)O
InChIInChI=1S/C11H24NO4P/c1-9(2)5-3-4-8-17(15,16)10(12)6-7-11(13)14/h9-10H,3-8,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyTVAXRFFCRKAJNO-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.23
Rot. Bonds9

About 4-amino-4-[hydroxy(5-methylhexyl)phosphoryl]butanoic acid

4-amino-4-[hydroxy(5-methylhexyl)phosphoryl]butanoic acid (PubChem CID 151942933) has the molecular formula C11H24NO4P and a molecular weight of 265.29 g/mol. Its IUPAC name is 4-amino-4-[hydroxy(5-methylhexyl)phosphoryl]butanoic acid.

Molecular Properties

Compound Name4-amino-4-[hydroxy(5-methylhexyl)phosphoryl]butanoic acid
PubChem CID151942933
Molecular FormulaC11H24NO4P
Molecular Weight265.29 g/mol
Exact Mass265.14
IUPAC Name4-amino-4-[hydroxy(5-methylhexyl)phosphoryl]butanoic acid
SMILESCC(C)CCCCP(=O)(O)C(N)CCC(=O)O
InChIInChI=1S/C11H24NO4P/c1-9(2)5-3-4-8-17(15,16)10(12)6-7-11(13)14/h9-10H,3-8,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyTVAXRFFCRKAJNO-UHFFFAOYSA-N
XLogP2.23
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.23
H-Bond Donors ≤ 53
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

11-methyldodecanoic acid;phosphoric acid
CID 130194142
6-methylheptanoic acid;vanadium
CID 174623955
λ2-plumbane;6-methylheptanoic acid
CID 175289081
gadolinium;tris(6-methylheptanoic acid)
CID 176895771
16-methylheptadecanoic acid
CID 87200881
azane;16-methylheptadecanoic acid
CID 161380406
8-methylnonanoic acid;zinc
CID 175431403
copper;6-methylheptanoic acid;7-methyloctanoic acid
CID 170842842
iron;6-methylheptanoic acid;7-methyloctanoic acid
CID 56844011
sodium;hydride;6-methylheptanoic acid
CID 174475906
(3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;14-methylpentadecanoic acid
CID 172699305
12,17-dimethyloctadecanoic acid
CID 123475021

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-[hydroxy(5-methylhexyl)phosphoryl]butanoic acid?
The IUPAC name of 4-amino-4-[hydroxy(5-methylhexyl)phosphoryl]butanoic acid (CID 151942933) is 4-amino-4-[hydroxy(5-methylhexyl)phosphoryl]butanoic acid.
What is the SMILES notation for 4-amino-4-[hydroxy(5-methylhexyl)phosphoryl]butanoic acid?
The canonical SMILES for 4-amino-4-[hydroxy(5-methylhexyl)phosphoryl]butanoic acid is CC(C)CCCCP(=O)(O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-4-[hydroxy(5-methylhexyl)phosphoryl]butanoic acid?
The InChIKey is TVAXRFFCRKAJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO4P/c1-9(2)5-3-4-8-17(15,16)10(12)6-7-11(13)14/h9-10H,3-8,12H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 4-amino-4-[hydroxy(5-methylhexyl)phosphoryl]butanoic acid?
4-amino-4-[hydroxy(5-methylhexyl)phosphoryl]butanoic acid has a molecular weight of 265.29 g/mol, XLogP of 2.23, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-[hydroxy(5-methylhexyl)phosphoryl]butanoic acid is sourced from PubChem (CID 151942933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).