2-[bis(phosphanyl)phosphanylamino]-3-(4-methylphenyl)propanoic acid

C10H16NO2P3 — CID 59607691

IUPAC2-[bis(phosphanyl)phosphanylamino]-3-(4-methylphenyl)propanoic acid
SMILESCc1ccc(CC(NP(P)P)C(=O)O)cc1
InChIInChI=1S/C10H16NO2P3/c1-7-2-4-8(5-3-7)6-9(10(12)13)11-16(14)15/h2-5,9,11H,6,14-15H2,1H3,(H,12,13)
InChIKeyJLDVEZFTEIKWNC-UHFFFAOYSA-N
MW275.17 g/mol
LogP2.56
Rot. Bonds5

About 2-[bis(phosphanyl)phosphanylamino]-3-(4-methylphenyl)propanoic acid

2-[bis(phosphanyl)phosphanylamino]-3-(4-methylphenyl)propanoic acid (PubChem CID 59607691) has the molecular formula C10H16NO2P3 and a molecular weight of 275.17 g/mol. Its IUPAC name is 2-[bis(phosphanyl)phosphanylamino]-3-(4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-[bis(phosphanyl)phosphanylamino]-3-(4-methylphenyl)propanoic acid
PubChem CID59607691
Molecular FormulaC10H16NO2P3
Molecular Weight275.17 g/mol
Exact Mass275.04
IUPAC Name2-[bis(phosphanyl)phosphanylamino]-3-(4-methylphenyl)propanoic acid
SMILESCc1ccc(CC(NP(P)P)C(=O)O)cc1
InChIInChI=1S/C10H16NO2P3/c1-7-2-4-8(5-3-7)6-9(10(12)13)11-16(14)15/h2-5,9,11H,6,14-15H2,1H3,(H,12,13)
InChIKeyJLDVEZFTEIKWNC-UHFFFAOYSA-N
XLogP2.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 52.56
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

2-acetamido-3-(4-methylphenyl)propanoic acid
CID 4528620
ethane;3-(4-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 176967438
(2S)-3-[4-(4-methylphenyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 154814740
[1-carboxy-2-(4-methylphenyl)ethyl]azanium
CID 59236931
(3R)-3-(methylamino)-4-(4-methylphenyl)butan-2-one
CID 58858482
2-[3-(4-methylphenyl)propanoylamino]-3-phenylpropanoic acid
CID 119165684
3-(4-fluorophenyl)-2-[(4-methylbenzoyl)amino]propanoic acid
CID 132893045
(2R)-2-[3-(4-methylphenyl)propanoylamino]-3-phenylpropanoic acid
CID 119367532
2-(methylamino)-3-(4-methylphenyl)propanamide
CID 59568547
(2S)-3-(4-methylphenyl)-2-[[(2S)-4-methyl-2-(propan-2-ylamino)pentanoyl]amino]propanoic acid
CID 59926456
(2R)-3-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 7082008
2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide
CID 172898206

Frequently Asked Questions

What is the IUPAC name of 2-[bis(phosphanyl)phosphanylamino]-3-(4-methylphenyl)propanoic acid?
The IUPAC name of 2-[bis(phosphanyl)phosphanylamino]-3-(4-methylphenyl)propanoic acid (CID 59607691) is 2-[bis(phosphanyl)phosphanylamino]-3-(4-methylphenyl)propanoic acid.
What is the SMILES notation for 2-[bis(phosphanyl)phosphanylamino]-3-(4-methylphenyl)propanoic acid?
The canonical SMILES for 2-[bis(phosphanyl)phosphanylamino]-3-(4-methylphenyl)propanoic acid is Cc1ccc(CC(NP(P)P)C(=O)O)cc1.
What is the InChIKey of 2-[bis(phosphanyl)phosphanylamino]-3-(4-methylphenyl)propanoic acid?
The InChIKey is JLDVEZFTEIKWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO2P3/c1-7-2-4-8(5-3-7)6-9(10(12)13)11-16(14)15/h2-5,9,11H,6,14-15H2,1H3,(H,12,13).
What are the key properties of 2-[bis(phosphanyl)phosphanylamino]-3-(4-methylphenyl)propanoic acid?
2-[bis(phosphanyl)phosphanylamino]-3-(4-methylphenyl)propanoic acid has a molecular weight of 275.17 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(phosphanyl)phosphanylamino]-3-(4-methylphenyl)propanoic acid is sourced from PubChem (CID 59607691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).