2-amino-2-(difluoromethyl)-5-(tetradecanoylamino)pentanoic acid

C20H38F2N2O3 — CID 22234735

IUPAC2-amino-2-(difluoromethyl)-5-(tetradecanoylamino)pentanoic acid
SMILESCCCCCCCCCCCCCC(=O)NCCCC(N)(C(=O)O)C(F)F
InChIInChI=1S/C20H38F2N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(25)24-16-13-15-20(23,18(21)22)19(26)27/h18H,2-16,23H2,1H3,(H,24,25)(H,26,27)
InChIKeyHUVUJEBIXSPULN-UHFFFAOYSA-N
MW392.53 g/mol
LogP4.63
Rot. Bonds18

About 2-amino-2-(difluoromethyl)-5-(tetradecanoylamino)pentanoic acid

2-amino-2-(difluoromethyl)-5-(tetradecanoylamino)pentanoic acid (PubChem CID 22234735) has the molecular formula C20H38F2N2O3 and a molecular weight of 392.53 g/mol. Its IUPAC name is 2-amino-2-(difluoromethyl)-5-(tetradecanoylamino)pentanoic acid.

Molecular Properties

Compound Name2-amino-2-(difluoromethyl)-5-(tetradecanoylamino)pentanoic acid
PubChem CID22234735
Molecular FormulaC20H38F2N2O3
Molecular Weight392.53 g/mol
Exact Mass392.29
IUPAC Name2-amino-2-(difluoromethyl)-5-(tetradecanoylamino)pentanoic acid
SMILESCCCCCCCCCCCCCC(=O)NCCCC(N)(C(=O)O)C(F)F
InChIInChI=1S/C20H38F2N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(25)24-16-13-15-20(23,18(21)22)19(26)27/h18H,2-16,23H2,1H3,(H,24,25)(H,26,27)
InChIKeyHUVUJEBIXSPULN-UHFFFAOYSA-N
XLogP4.63
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-(difluoromethyl)-5-(2-propylpentanoylamino)pentanoic acid;hydrochloride
CID 162377034
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(difluoromethyl)-5-(tetradecanoylamino)pentanoic acid?
The IUPAC name of 2-amino-2-(difluoromethyl)-5-(tetradecanoylamino)pentanoic acid (CID 22234735) is 2-amino-2-(difluoromethyl)-5-(tetradecanoylamino)pentanoic acid.
What is the SMILES notation for 2-amino-2-(difluoromethyl)-5-(tetradecanoylamino)pentanoic acid?
The canonical SMILES for 2-amino-2-(difluoromethyl)-5-(tetradecanoylamino)pentanoic acid is CCCCCCCCCCCCCC(=O)NCCCC(N)(C(=O)O)C(F)F.
What is the InChIKey of 2-amino-2-(difluoromethyl)-5-(tetradecanoylamino)pentanoic acid?
The InChIKey is HUVUJEBIXSPULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38F2N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(25)24-16-13-15-20(23,18(21)22)19(26)27/h18H,2-16,23H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 2-amino-2-(difluoromethyl)-5-(tetradecanoylamino)pentanoic acid?
2-amino-2-(difluoromethyl)-5-(tetradecanoylamino)pentanoic acid has a molecular weight of 392.53 g/mol, XLogP of 4.63, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(difluoromethyl)-5-(tetradecanoylamino)pentanoic acid is sourced from PubChem (CID 22234735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).