[(2S,3S)-3-[[(2R)-4-methyl-2-(tetradecoxycarbonylamino)pentyl]amino]oxolan-2-yl] acetate

C27H52N2O5 — CID 67576400

IUPAC[(2S,3S)-3-[[(2R)-4-methyl-2-(tetradecoxycarbonylamino)pentyl]amino]oxolan-2-yl] acetate
SMILESCCCCCCCCCCCCCCOC(=O)N[C@@H](CN[C@H]1CCO[C@H]1OC(C)=O)CC(C)C
InChIInChI=1S/C27H52N2O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-33-27(31)29-24(20-22(2)3)21-28-25-17-19-32-26(25)34-23(4)30/h22,24-26,28H,5-21H2,1-4H3,(H,29,31)/t24-,25+,26+/m1/s1
InChIKeyGFGFFPQAHASGBU-ZNZIZOMTSA-N
MW484.72 g/mol
LogP6.10
Rot. Bonds20

About [(2S,3S)-3-[[(2R)-4-methyl-2-(tetradecoxycarbonylamino)pentyl]amino]oxolan-2-yl] acetate

[(2S,3S)-3-[[(2R)-4-methyl-2-(tetradecoxycarbonylamino)pentyl]amino]oxolan-2-yl] acetate (PubChem CID 67576400) has the molecular formula C27H52N2O5 and a molecular weight of 484.72 g/mol. Its IUPAC name is [(2S,3S)-3-[[(2R)-4-methyl-2-(tetradecoxycarbonylamino)pentyl]amino]oxolan-2-yl] acetate.

Molecular Properties

Compound Name[(2S,3S)-3-[[(2R)-4-methyl-2-(tetradecoxycarbonylamino)pentyl]amino]oxolan-2-yl] acetate
PubChem CID67576400
Molecular FormulaC27H52N2O5
Molecular Weight484.72 g/mol
Exact Mass484.39
IUPAC Name[(2S,3S)-3-[[(2R)-4-methyl-2-(tetradecoxycarbonylamino)pentyl]amino]oxolan-2-yl] acetate
SMILESCCCCCCCCCCCCCCOC(=O)N[C@@H](CN[C@H]1CCO[C@H]1OC(C)=O)CC(C)C
InChIInChI=1S/C27H52N2O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-33-27(31)29-24(20-22(2)3)21-28-25-17-19-32-26(25)34-23(4)30/h22,24-26,28H,5-21H2,1-4H3,(H,29,31)/t24-,25+,26+/m1/s1
InChIKeyGFGFFPQAHASGBU-ZNZIZOMTSA-N
XLogP6.10
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.72
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2S,3S)-3-[[(2R)-4-methyl-2-(tetradecoxycarbonylamino)pentyl]amino]oxolan-2-yl] acetate 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

tridecyl N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]carbamate
CID 67576309
[(2S,3S)-3-[[(2R)-2-(benzenesulfonamido)-4-methylpentyl]amino]oxolan-2-yl] acetate
CID 67575452
decyl 2-(ethoxycarbonylamino)-4-methylpentanoate
CID 6424356
(2S)-2-(hexoxycarbonylamino)propanoic acid
CID 139881168
octyl (2S)-2-acetamido-4-methylpentanoate
CID 176909899
pentadecyl (2S)-4-methyl-2-(2-methylpropoxycarbonylamino)pentanoate
CID 20837436
N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]tetradecane-1-sulfonamide
CID 67576350
decyl 2-(methoxycarbonylamino)-4-methylpentanoate
CID 6423225
heptyl 2-(2-chloroethoxycarbonylamino)-4-methylpentanoate
CID 91731679
3-methyl-2-(tetradecoxycarbonylamino)butanoic acid
CID 18699362
heptadecyl (2S)-2-(butoxycarbonylamino)propanoate
CID 20837023
[(2S)-3-carboxy-2-(octoxycarbonylamino)propyl]-trimethylazanium
CID 11034440

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-[[(2R)-4-methyl-2-(tetradecoxycarbonylamino)pentyl]amino]oxolan-2-yl] acetate?
The IUPAC name of [(2S,3S)-3-[[(2R)-4-methyl-2-(tetradecoxycarbonylamino)pentyl]amino]oxolan-2-yl] acetate (CID 67576400) is [(2S,3S)-3-[[(2R)-4-methyl-2-(tetradecoxycarbonylamino)pentyl]amino]oxolan-2-yl] acetate.
What is the SMILES notation for [(2S,3S)-3-[[(2R)-4-methyl-2-(tetradecoxycarbonylamino)pentyl]amino]oxolan-2-yl] acetate?
The canonical SMILES for [(2S,3S)-3-[[(2R)-4-methyl-2-(tetradecoxycarbonylamino)pentyl]amino]oxolan-2-yl] acetate is CCCCCCCCCCCCCCOC(=O)N[C@@H](CN[C@H]1CCO[C@H]1OC(C)=O)CC(C)C.
What is the InChIKey of [(2S,3S)-3-[[(2R)-4-methyl-2-(tetradecoxycarbonylamino)pentyl]amino]oxolan-2-yl] acetate?
The InChIKey is GFGFFPQAHASGBU-ZNZIZOMTSA-N. The full InChI is InChI=1S/C27H52N2O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-33-27(31)29-24(20-22(2)3)21-28-25-17-19-32-26(25)34-23(4)30/h22,24-26,28H,5-21H2,1-4H3,(H,29,31)/t24-,25+,26+/m1/s1.
What are the key properties of [(2S,3S)-3-[[(2R)-4-methyl-2-(tetradecoxycarbonylamino)pentyl]amino]oxolan-2-yl] acetate?
[(2S,3S)-3-[[(2R)-4-methyl-2-(tetradecoxycarbonylamino)pentyl]amino]oxolan-2-yl] acetate has a molecular weight of 484.72 g/mol, XLogP of 6.10, 20 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-[[(2R)-4-methyl-2-(tetradecoxycarbonylamino)pentyl]amino]oxolan-2-yl] acetate is sourced from PubChem (CID 67576400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).