sodium 2-amino-5,5-bis(4-propan-2-ylphenyl)pent-4-enoate

C23H28NNaO2 — CID 23710784

IUPACsodium 2-amino-5,5-bis(4-propan-2-ylphenyl)pent-4-enoate
SMILESCC(C)c1ccc(C(=CCC(N)C(=O)[O-])c2ccc(C(C)C)cc2)cc1.[Na+]
InChIInChI=1S/C23H29NO2.Na/c1-15(2)17-5-9-19(10-6-17)21(13-14-22(24)23(25)26)20-11-7-18(8-12-20)16(3)4;/h5-13,15-16,22H,14,24H2,1-4H3,(H,25,26);/q;+1/p-1
InChIKeyOUEDNIWBYZFWMY-UHFFFAOYSA-M
MW373.47 g/mol
LogP0.84
Rot. Bonds7

About sodium 2-amino-5,5-bis(4-propan-2-ylphenyl)pent-4-enoate

sodium 2-amino-5,5-bis(4-propan-2-ylphenyl)pent-4-enoate (PubChem CID 23710784) has the molecular formula C23H28NNaO2 and a molecular weight of 373.47 g/mol. Its IUPAC name is sodium 2-amino-5,5-bis(4-propan-2-ylphenyl)pent-4-enoate.

Molecular Properties

Compound Namesodium 2-amino-5,5-bis(4-propan-2-ylphenyl)pent-4-enoate
PubChem CID23710784
Molecular FormulaC23H28NNaO2
Molecular Weight373.47 g/mol
Exact Mass373.20
IUPAC Namesodium 2-amino-5,5-bis(4-propan-2-ylphenyl)pent-4-enoate
SMILESCC(C)c1ccc(C(=CCC(N)C(=O)[O-])c2ccc(C(C)C)cc2)cc1.[Na+]
InChIInChI=1S/C23H29NO2.Na/c1-15(2)17-5-9-19(10-6-17)21(13-14-22(24)23(25)26)20-11-7-18(8-12-20)16(3)4;/h5-13,15-16,22H,14,24H2,1-4H3,(H,25,26);/q;+1/p-1
InChIKeyOUEDNIWBYZFWMY-UHFFFAOYSA-M
XLogP0.84
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
lithium 4-propan-2-ylbenzoate
CID 58547643
5-phenyl-5-(4-propan-2-ylphenyl)pent-4-enoic acid
CID 57178273
5-oxo-5-(4-propan-2-ylphenyl)pentanoate
CID 7022366
(E)-5-(4-propan-2-ylphenyl)-5-thiophen-3-ylpent-4-enoic acid
CID 70276452
1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
CID 23512927
2,4-diamino-4-(4-propan-2-ylphenyl)butanoic acid
CID 116942627
2-methyl-1-(4-propan-2-ylphenyl)but-2-en-1-one
CID 123351544
(3S)-3-amino-3-(4-propan-2-ylphenyl)propanamide
CID 29059873
(2S)-2-methyl-3-(4-propan-2-ylphenyl)propanoate
CID 6956821
6-oxo-6-(4-propan-2-ylphenyl)hexanamide
CID 174637388
4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one
CID 43625084

Frequently Asked Questions

What is the IUPAC name of sodium 2-amino-5,5-bis(4-propan-2-ylphenyl)pent-4-enoate?
The IUPAC name of sodium 2-amino-5,5-bis(4-propan-2-ylphenyl)pent-4-enoate (CID 23710784) is sodium 2-amino-5,5-bis(4-propan-2-ylphenyl)pent-4-enoate.
What is the SMILES notation for sodium 2-amino-5,5-bis(4-propan-2-ylphenyl)pent-4-enoate?
The canonical SMILES for sodium 2-amino-5,5-bis(4-propan-2-ylphenyl)pent-4-enoate is CC(C)c1ccc(C(=CCC(N)C(=O)[O-])c2ccc(C(C)C)cc2)cc1.[Na+].
What is the InChIKey of sodium 2-amino-5,5-bis(4-propan-2-ylphenyl)pent-4-enoate?
The InChIKey is OUEDNIWBYZFWMY-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H29NO2.Na/c1-15(2)17-5-9-19(10-6-17)21(13-14-22(24)23(25)26)20-11-7-18(8-12-20)16(3)4;/h5-13,15-16,22H,14,24H2,1-4H3,(H,25,26);/q;+1/p-1.
What are the key properties of sodium 2-amino-5,5-bis(4-propan-2-ylphenyl)pent-4-enoate?
sodium 2-amino-5,5-bis(4-propan-2-ylphenyl)pent-4-enoate has a molecular weight of 373.47 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-amino-5,5-bis(4-propan-2-ylphenyl)pent-4-enoate is sourced from PubChem (CID 23710784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).