tetradecyl (2S,3R)-2-amino-3-methylpentanoate

C20H41NO2 — CID 6451751

IUPACtetradecyl (2S,3R)-2-amino-3-methylpentanoate
SMILESCCCCCCCCCCCCCCOC(=O)[C@@H](N)[C@H](C)CC
InChIInChI=1S/C20H41NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-23-20(22)19(21)18(3)5-2/h18-19H,4-17,21H2,1-3H3/t18-,19+/m1/s1
InChIKeyMJMSPULNEUWOPG-MOPGFXCFSA-N
MW327.55 g/mol
LogP5.60
Rot. Bonds16

About tetradecyl (2S,3R)-2-amino-3-methylpentanoate

tetradecyl (2S,3R)-2-amino-3-methylpentanoate (PubChem CID 6451751) has the molecular formula C20H41NO2 and a molecular weight of 327.55 g/mol. Its IUPAC name is tetradecyl (2S,3R)-2-amino-3-methylpentanoate.

Molecular Properties

Compound Nametetradecyl (2S,3R)-2-amino-3-methylpentanoate
PubChem CID6451751
Molecular FormulaC20H41NO2
Molecular Weight327.55 g/mol
Exact Mass327.31
IUPAC Nametetradecyl (2S,3R)-2-amino-3-methylpentanoate
SMILESCCCCCCCCCCCCCCOC(=O)[C@@H](N)[C@H](C)CC
InChIInChI=1S/C20H41NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-23-20(22)19(21)18(3)5-2/h18-19H,4-17,21H2,1-3H3/t18-,19+/m1/s1
InChIKeyMJMSPULNEUWOPG-MOPGFXCFSA-N
XLogP5.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.55
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tetradecyl (2S,3R)-2-amino-3-methylpentanoate 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

dodecyl (2S)-2-amino-3-methylpentanoate
CID 88628969
sodium;hexadecyl (2S,3S)-2-amino-3-methylpentanoate;hydride
CID 174767625
dodecyl 2-amino-3-methylbutanoate
CID 6453804
pentyl (2S)-2-amino-3-methylbutanoate
CID 61302518
decyl 2-methylhexanoate
CID 86220664
hexyl 2-methyldodecanoate
CID 174392697
dodecyl 2-methylhexanoate
CID 20682052
dodecyl 2-methyltetradecanoate
CID 88541423
heptyl 2-aminopropanoate
CID 14657662
heptadecyl (2S)-2-aminopropanoate
CID 122384608
decyl 2-aminobutanoate
CID 5124907
dodecyl (2R)-2-aminopropanoate;hydrochloride
CID 156902416

Frequently Asked Questions

What is the IUPAC name of tetradecyl (2S,3R)-2-amino-3-methylpentanoate?
The IUPAC name of tetradecyl (2S,3R)-2-amino-3-methylpentanoate (CID 6451751) is tetradecyl (2S,3R)-2-amino-3-methylpentanoate.
What is the SMILES notation for tetradecyl (2S,3R)-2-amino-3-methylpentanoate?
The canonical SMILES for tetradecyl (2S,3R)-2-amino-3-methylpentanoate is CCCCCCCCCCCCCCOC(=O)[C@@H](N)[C@H](C)CC.
What is the InChIKey of tetradecyl (2S,3R)-2-amino-3-methylpentanoate?
The InChIKey is MJMSPULNEUWOPG-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H41NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-23-20(22)19(21)18(3)5-2/h18-19H,4-17,21H2,1-3H3/t18-,19+/m1/s1.
What are the key properties of tetradecyl (2S,3R)-2-amino-3-methylpentanoate?
tetradecyl (2S,3R)-2-amino-3-methylpentanoate has a molecular weight of 327.55 g/mol, XLogP of 5.60, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl (2S,3R)-2-amino-3-methylpentanoate is sourced from PubChem (CID 6451751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).