2-[[hydroxy(1-naphthalen-1-ylbutyl)phosphoryl]amino]pentanedioic acid

C19H24NO6P — CID 18403161

IUPAC2-[[hydroxy(1-naphthalen-1-ylbutyl)phosphoryl]amino]pentanedioic acid
SMILESCCCC(c1cccc2ccccc12)P(=O)(O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C19H24NO6P/c1-2-6-17(15-10-5-8-13-7-3-4-9-14(13)15)27(25,26)20-16(19(23)24)11-12-18(21)22/h3-5,7-10,16-17H,2,6,11-12H2,1H3,(H,21,22)(H,23,24)(H2,20,25,26)
InChIKeyMVFKYJRJOHAUPP-UHFFFAOYSA-N
MW393.38 g/mol
LogP3.77
Rot. Bonds10

About 2-[[hydroxy(1-naphthalen-1-ylbutyl)phosphoryl]amino]pentanedioic acid

2-[[hydroxy(1-naphthalen-1-ylbutyl)phosphoryl]amino]pentanedioic acid (PubChem CID 18403161) has the molecular formula C19H24NO6P and a molecular weight of 393.38 g/mol. Its IUPAC name is 2-[[hydroxy(1-naphthalen-1-ylbutyl)phosphoryl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[hydroxy(1-naphthalen-1-ylbutyl)phosphoryl]amino]pentanedioic acid
PubChem CID18403161
Molecular FormulaC19H24NO6P
Molecular Weight393.38 g/mol
Exact Mass393.13
IUPAC Name2-[[hydroxy(1-naphthalen-1-ylbutyl)phosphoryl]amino]pentanedioic acid
SMILESCCCC(c1cccc2ccccc12)P(=O)(O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C19H24NO6P/c1-2-6-17(15-10-5-8-13-7-3-4-9-14(13)15)27(25,26)20-16(19(23)24)11-12-18(21)22/h3-5,7-10,16-17H,2,6,11-12H2,1H3,(H,21,22)(H,23,24)(H2,20,25,26)
InChIKeyMVFKYJRJOHAUPP-UHFFFAOYSA-N
XLogP3.77
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 53.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(naphthalen-1-ylcarbamoylamino)pentanedioic acid
CID 95559600
2-(naphthalen-1-ylamino)butanoic acid
CID 64667732
2-[[hydroxy-[(3-methylphenyl)methyl]phosphoryl]amino]pentanedioic acid
CID 18403192
N-[(1R)-1-naphthalen-1-ylbutyl]acetamide
CID 101232635
(2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid
CID 54513086
2-naphthalen-1-ylpentanoate
CID 154825316
(2R)-2-[[3-[[(1R)-1,3-dicarboxypropyl]carbamoyl]benzoyl]amino]pentanedioic acid
CID 99966260
2-(naphthalen-1-ylamino)butanedioic acid
CID 115144291
2-[1-[hydroxy(naphthalen-1-yl)phosphoryl]heptyl]pentanedioic acid
CID 19357811
2-naphthalen-1-yldodecanoic acid
CID 23333439
3-[1-naphthalen-1-ylethyl(propan-2-yl)amino]propanoic acid
CID 65057116
(2S)-4-methyl-2-(2-naphthalen-1-ylhydrazinyl)pentanoic acid
CID 174526568

Frequently Asked Questions

What is the IUPAC name of 2-[[hydroxy(1-naphthalen-1-ylbutyl)phosphoryl]amino]pentanedioic acid?
The IUPAC name of 2-[[hydroxy(1-naphthalen-1-ylbutyl)phosphoryl]amino]pentanedioic acid (CID 18403161) is 2-[[hydroxy(1-naphthalen-1-ylbutyl)phosphoryl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[hydroxy(1-naphthalen-1-ylbutyl)phosphoryl]amino]pentanedioic acid?
The canonical SMILES for 2-[[hydroxy(1-naphthalen-1-ylbutyl)phosphoryl]amino]pentanedioic acid is CCCC(c1cccc2ccccc12)P(=O)(O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-[[hydroxy(1-naphthalen-1-ylbutyl)phosphoryl]amino]pentanedioic acid?
The InChIKey is MVFKYJRJOHAUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24NO6P/c1-2-6-17(15-10-5-8-13-7-3-4-9-14(13)15)27(25,26)20-16(19(23)24)11-12-18(21)22/h3-5,7-10,16-17H,2,6,11-12H2,1H3,(H,21,22)(H,23,24)(H2,20,25,26).
What are the key properties of 2-[[hydroxy(1-naphthalen-1-ylbutyl)phosphoryl]amino]pentanedioic acid?
2-[[hydroxy(1-naphthalen-1-ylbutyl)phosphoryl]amino]pentanedioic acid has a molecular weight of 393.38 g/mol, XLogP of 3.77, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[hydroxy(1-naphthalen-1-ylbutyl)phosphoryl]amino]pentanedioic acid is sourced from PubChem (CID 18403161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).