[(3R,6R)-6-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (2S,3S)-2-amino-3-methylpentanoate

C18H32N2O6 — CID 101024949

IUPAC[(3R,6R)-6-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (2S,3S)-2-amino-3-methylpentanoate
SMILESCC[C@H](C)[C@H](N)C(=O)O[C@@H]1COC2C1OC[C@H]2OC(=O)[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C18H32N2O6/c1-5-9(3)13(19)17(21)25-11-7-23-16-12(8-24-15(11)16)26-18(22)14(20)10(4)6-2/h9-16H,5-8,19-20H2,1-4H3/t9-,10-,11+,12+,13-,14-,15?,16?/m0/s1
InChIKeyNRJQBDDCDPZIJK-TWNBZSHFSA-N
MW372.46 g/mol
LogP0.35
Rot. Bonds8

About [(3R,6R)-6-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (2S,3S)-2-amino-3-methylpentanoate

[(3R,6R)-6-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (2S,3S)-2-amino-3-methylpentanoate (PubChem CID 101024949) has the molecular formula C18H32N2O6 and a molecular weight of 372.46 g/mol. Its IUPAC name is [(3R,6R)-6-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (2S,3S)-2-amino-3-methylpentanoate.

Molecular Properties

Compound Name[(3R,6R)-6-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (2S,3S)-2-amino-3-methylpentanoate
PubChem CID101024949
Molecular FormulaC18H32N2O6
Molecular Weight372.46 g/mol
Exact Mass372.23
IUPAC Name[(3R,6R)-6-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (2S,3S)-2-amino-3-methylpentanoate
SMILESCC[C@H](C)[C@H](N)C(=O)O[C@@H]1COC2C1OC[C@H]2OC(=O)[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C18H32N2O6/c1-5-9(3)13(19)17(21)25-11-7-23-16-12(8-24-15(11)16)26-18(22)14(20)10(4)6-2/h9-16H,5-8,19-20H2,1-4H3/t9-,10-,11+,12+,13-,14-,15?,16?/m0/s1
InChIKeyNRJQBDDCDPZIJK-TWNBZSHFSA-N
XLogP0.35
TPSA123.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [(3R,6R)-6-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (2S,3S)-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

oxetan-3-yl 2-amino-3-methylpentanoate
CID 102606938
(3-propanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 2-methylpropanoate
CID 118047556
[1-[[6-(2-azaniumyl-4-methylpentanoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-4-methyl-1-oxopentan-2-yl]azanium
CID 140638767
(4-methylcyclohexyl) (2S,3S)-2-amino-3-methylpentanoate
CID 61278231
(3,5-dimethylcyclohexyl) (2S,3S)-2-amino-3-methylpentanoate
CID 64731831
(4-methylcyclohexyl) (2S)-2-amino-3-methylpentanoate
CID 61278644
(2-ethylcyclohexyl) (2S)-2-amino-3-methylpentanoate
CID 61277251
(4,4-dimethylcyclohexyl) 2-amino-3-methylpentanoate
CID 114341590
[(3aR,6aR)-6-(2-amino-3-methylbutanoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 6-nitrooxyhexanoate
CID 142489478
[(3S,3aR,6S,6aR)-6-carboxyoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] hydrogen carbonate
CID 118173855
[(3S,3aR,6R,6aR)-6-[(2S)-4-methyl-2-(octanoylamino)pentanoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (2S)-4-methyl-2-(octanoylamino)pentanoate
CID 172866623
[6-[2-(2-methylpropanoylamino)acetyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-(2-methylpropanoylamino)acetate
CID 118403221

Frequently Asked Questions

What is the IUPAC name of [(3R,6R)-6-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (2S,3S)-2-amino-3-methylpentanoate?
The IUPAC name of [(3R,6R)-6-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (2S,3S)-2-amino-3-methylpentanoate (CID 101024949) is [(3R,6R)-6-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (2S,3S)-2-amino-3-methylpentanoate.
What is the SMILES notation for [(3R,6R)-6-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (2S,3S)-2-amino-3-methylpentanoate?
The canonical SMILES for [(3R,6R)-6-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (2S,3S)-2-amino-3-methylpentanoate is CC[C@H](C)[C@H](N)C(=O)O[C@@H]1COC2C1OC[C@H]2OC(=O)[C@@H](N)[C@@H](C)CC.
What is the InChIKey of [(3R,6R)-6-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (2S,3S)-2-amino-3-methylpentanoate?
The InChIKey is NRJQBDDCDPZIJK-TWNBZSHFSA-N. The full InChI is InChI=1S/C18H32N2O6/c1-5-9(3)13(19)17(21)25-11-7-23-16-12(8-24-15(11)16)26-18(22)14(20)10(4)6-2/h9-16H,5-8,19-20H2,1-4H3/t9-,10-,11+,12+,13-,14-,15?,16?/m0/s1.
What are the key properties of [(3R,6R)-6-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (2S,3S)-2-amino-3-methylpentanoate?
[(3R,6R)-6-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (2S,3S)-2-amino-3-methylpentanoate has a molecular weight of 372.46 g/mol, XLogP of 0.35, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,6R)-6-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (2S,3S)-2-amino-3-methylpentanoate is sourced from PubChem (CID 101024949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).