3-(diphosphanylamino)-4-(4-methylphenyl)butanoic acid

C11H17NO2P2 — CID 90337933

IUPAC3-(diphosphanylamino)-4-(4-methylphenyl)butanoic acid
SMILESCc1ccc(CC(CC(=O)O)NPP)cc1
InChIInChI=1S/C11H17NO2P2/c1-8-2-4-9(5-3-8)6-10(12-16-15)7-11(13)14/h2-5,10,12,16H,6-7,15H2,1H3,(H,13,14)
InChIKeyCTDYYDLHVFTQLM-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.35
Rot. Bonds6

About 3-(diphosphanylamino)-4-(4-methylphenyl)butanoic acid

3-(diphosphanylamino)-4-(4-methylphenyl)butanoic acid (PubChem CID 90337933) has the molecular formula C11H17NO2P2 and a molecular weight of 257.21 g/mol. Its IUPAC name is 3-(diphosphanylamino)-4-(4-methylphenyl)butanoic acid.

Molecular Properties

Compound Name3-(diphosphanylamino)-4-(4-methylphenyl)butanoic acid
PubChem CID90337933
Molecular FormulaC11H17NO2P2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name3-(diphosphanylamino)-4-(4-methylphenyl)butanoic acid
SMILESCc1ccc(CC(CC(=O)O)NPP)cc1
InChIInChI=1S/C11H17NO2P2/c1-8-2-4-9(5-3-8)6-10(12-16-15)7-11(13)14/h2-5,10,12,16H,6-7,15H2,1H3,(H,13,14)
InChIKeyCTDYYDLHVFTQLM-UHFFFAOYSA-N
XLogP2.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methylphenyl)-3-(prop-2-enylamino)butanoic acid
CID 82350432
4-(4-methylphenyl)-3-(pentylamino)butanoic acid
CID 82350428
3-[3-(dimethylamino)propylamino]-4-(4-methylphenyl)butanoic acid
CID 82350440
(3R)-4-methyl-3-[(4-methylphenyl)methyl]pentanoic acid
CID 69228127
N-[(2R)-1-(4-methylphenyl)butan-2-yl]acetamide
CID 96567688
N-[(2S)-1-(4-methylphenyl)butan-2-yl]acetamide
CID 96567687
(4S)-4-(methylamino)-5-(4-methylphenyl)pentan-2-one
CID 170393708
2-[bis(phosphanyl)phosphanylamino]-3-(4-methylphenyl)propanoic acid
CID 59607691
3-cyclopropyl-4-(4-methylphenyl)butanoic acid
CID 82079304
3-[(4-methylphenyl)sulfonylamino]-4-[4-(4-methylphenyl)sulfonyloxyphenyl]butanoic acid
CID 162418962
4-anilino-3-[(4-methylphenyl)methyl]-4-oxobutanoic acid
CID 2853882
(3S)-4-anilino-3-[(4-methylphenyl)methyl]-4-oxobutanoic acid
CID 761482

Frequently Asked Questions

What is the IUPAC name of 3-(diphosphanylamino)-4-(4-methylphenyl)butanoic acid?
The IUPAC name of 3-(diphosphanylamino)-4-(4-methylphenyl)butanoic acid (CID 90337933) is 3-(diphosphanylamino)-4-(4-methylphenyl)butanoic acid.
What is the SMILES notation for 3-(diphosphanylamino)-4-(4-methylphenyl)butanoic acid?
The canonical SMILES for 3-(diphosphanylamino)-4-(4-methylphenyl)butanoic acid is Cc1ccc(CC(CC(=O)O)NPP)cc1.
What is the InChIKey of 3-(diphosphanylamino)-4-(4-methylphenyl)butanoic acid?
The InChIKey is CTDYYDLHVFTQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2P2/c1-8-2-4-9(5-3-8)6-10(12-16-15)7-11(13)14/h2-5,10,12,16H,6-7,15H2,1H3,(H,13,14).
What are the key properties of 3-(diphosphanylamino)-4-(4-methylphenyl)butanoic acid?
3-(diphosphanylamino)-4-(4-methylphenyl)butanoic acid has a molecular weight of 257.21 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diphosphanylamino)-4-(4-methylphenyl)butanoic acid is sourced from PubChem (CID 90337933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).