(2S)-2-amino-3-(2,4-dimethyl-6-tetradecan-2-ylphenyl)propanoic acid

C25H43NO2 — CID 68811760

IUPAC(2S)-2-amino-3-(2,4-dimethyl-6-tetradecan-2-ylphenyl)propanoic acid
SMILESCCCCCCCCCCCCC(C)c1cc(C)cc(C)c1C[C@H](N)C(=O)O
InChIInChI=1S/C25H43NO2/c1-5-6-7-8-9-10-11-12-13-14-15-20(3)22-17-19(2)16-21(4)23(22)18-24(26)25(27)28/h16-17,20,24H,5-15,18,26H2,1-4H3,(H,27,28)/t20?,24-/m0/s1
InChIKeyNDUGUXFANZLYSE-JWIMYKKASA-N
MW389.62 g/mol
LogP6.67
Rot. Bonds15

About (2S)-2-amino-3-(2,4-dimethyl-6-tetradecan-2-ylphenyl)propanoic acid

(2S)-2-amino-3-(2,4-dimethyl-6-tetradecan-2-ylphenyl)propanoic acid (PubChem CID 68811760) has the molecular formula C25H43NO2 and a molecular weight of 389.62 g/mol. Its IUPAC name is (2S)-2-amino-3-(2,4-dimethyl-6-tetradecan-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2,4-dimethyl-6-tetradecan-2-ylphenyl)propanoic acid
PubChem CID68811760
Molecular FormulaC25H43NO2
Molecular Weight389.62 g/mol
Exact Mass389.33
IUPAC Name(2S)-2-amino-3-(2,4-dimethyl-6-tetradecan-2-ylphenyl)propanoic acid
SMILESCCCCCCCCCCCCC(C)c1cc(C)cc(C)c1C[C@H](N)C(=O)O
InChIInChI=1S/C25H43NO2/c1-5-6-7-8-9-10-11-12-13-14-15-20(3)22-17-19(2)16-21(4)23(22)18-24(26)25(27)28/h16-17,20,24H,5-15,18,26H2,1-4H3,(H,27,28)/t20?,24-/m0/s1
InChIKeyNDUGUXFANZLYSE-JWIMYKKASA-N
XLogP6.67
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.62
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-3-(2,4-dimethyl-6-tetradecan-2-ylphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethyl-6-triacontan-2-ylphenol
CID 19904487
2-hydroxy-5-methyl-3-octan-2-ylbenzoic acid
CID 22256255
1,3,5-trimethyl-2-octan-2-ylbenzene
CID 101366430
4-[(2S)-2-amino-2-carboxyethyl]-3,5-dimethylbenzoic acid;hydrochloride
CID 141482509
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminopentacosanoic acid
CID 158815459
(2S)-2-aminododecanoic acid
CID 10560640
2-aminohexadecanoic acid;azane
CID 175267671
1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 114752275
sodium;(2S)-2-aminotridecanoic acid;hydride
CID 174527444
7-hexadecan-2-yl-3-hydroxy-5-methyl-3H-1-benzofuran-2-one
CID 19969136
(2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride
CID 154728811

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2,4-dimethyl-6-tetradecan-2-ylphenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(2,4-dimethyl-6-tetradecan-2-ylphenyl)propanoic acid (CID 68811760) is (2S)-2-amino-3-(2,4-dimethyl-6-tetradecan-2-ylphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2,4-dimethyl-6-tetradecan-2-ylphenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2,4-dimethyl-6-tetradecan-2-ylphenyl)propanoic acid is CCCCCCCCCCCCC(C)c1cc(C)cc(C)c1C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2,4-dimethyl-6-tetradecan-2-ylphenyl)propanoic acid?
The InChIKey is NDUGUXFANZLYSE-JWIMYKKASA-N. The full InChI is InChI=1S/C25H43NO2/c1-5-6-7-8-9-10-11-12-13-14-15-20(3)22-17-19(2)16-21(4)23(22)18-24(26)25(27)28/h16-17,20,24H,5-15,18,26H2,1-4H3,(H,27,28)/t20?,24-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2,4-dimethyl-6-tetradecan-2-ylphenyl)propanoic acid?
(2S)-2-amino-3-(2,4-dimethyl-6-tetradecan-2-ylphenyl)propanoic acid has a molecular weight of 389.62 g/mol, XLogP of 6.67, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2,4-dimethyl-6-tetradecan-2-ylphenyl)propanoic acid is sourced from PubChem (CID 68811760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).