N-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-cyclopentylpropanamide

C17H29NO6 — CID 25267494

IUPACN-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-cyclopentylpropanamide
SMILESCC1(C)O[C@H]2O[C@H]([C@H](O)CO)[C@H](NC(=O)CCC3CCCC3)[C@H]2O1
InChIInChI=1S/C17H29NO6/c1-17(2)23-15-13(14(11(20)9-19)22-16(15)24-17)18-12(21)8-7-10-5-3-4-6-10/h10-11,13-16,19-20H,3-9H2,1-2H3,(H,18,21)/t11-,13+,14-,15-,16-/m1/s1
InChIKeyBPWBMFFTLAODJJ-DPZJBDQQSA-N
MW343.42 g/mol
LogP0.67
Rot. Bonds6

About N-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-cyclopentylpropanamide

N-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-cyclopentylpropanamide (PubChem CID 25267494) has the molecular formula C17H29NO6 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-cyclopentylpropanamide
PubChem CID25267494
Molecular FormulaC17H29NO6
Molecular Weight343.42 g/mol
Exact Mass343.20
IUPAC NameN-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-cyclopentylpropanamide
SMILESCC1(C)O[C@H]2O[C@H]([C@H](O)CO)[C@H](NC(=O)CCC3CCCC3)[C@H]2O1
InChIInChI=1S/C17H29NO6/c1-17(2)23-15-13(14(11(20)9-19)22-16(15)24-17)18-12(21)8-7-10-5-3-4-6-10/h10-11,13-16,19-20H,3-9H2,1-2H3,(H,18,21)/t11-,13+,14-,15-,16-/m1/s1
InChIKeyBPWBMFFTLAODJJ-DPZJBDQQSA-N
XLogP0.67
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-cyclopentylpropanamide with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl N-[(3aS,5R,6aS)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate
CID 59073402
(1R)-1-[(3aR,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 6541035
1-[(3aR,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 130182424
methyl 2-[(3aR,5S,6aR)-5-(1,2-dihydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate
CID 122606314
[(3aS,5R,6R,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] benzoate
CID 51441818
(1R)-1-[(3aS,6aS)-6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 45050068
(1R)-1-[(3aR,5R,6S,6aR)-6-[3-(dimethylamino)-2-hydroxypropoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 11759052
[(3aR,5S,6S,6aR)-5-[(1R)-1-amino-2-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate
CID 101487207
(1S)-1-[(4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 688134
(1R)-1-[(3aR,5R,6S,6aR)-6-(2-hydroxy-3-piperidin-1-ylpropoxy)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 11035813
(1R)-1-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-[4-(4-methylpiperazin-1-yl)butoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 10317291
3-cyclohexyl-N-[4-(methylamino)cyclohexyl]propanamide
CID 43653177

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-cyclopentylpropanamide?
The IUPAC name of N-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-cyclopentylpropanamide (CID 25267494) is N-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-cyclopentylpropanamide.
What is the SMILES notation for N-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-cyclopentylpropanamide?
The canonical SMILES for N-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-cyclopentylpropanamide is CC1(C)O[C@H]2O[C@H]([C@H](O)CO)[C@H](NC(=O)CCC3CCCC3)[C@H]2O1.
What is the InChIKey of N-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-cyclopentylpropanamide?
The InChIKey is BPWBMFFTLAODJJ-DPZJBDQQSA-N. The full InChI is InChI=1S/C17H29NO6/c1-17(2)23-15-13(14(11(20)9-19)22-16(15)24-17)18-12(21)8-7-10-5-3-4-6-10/h10-11,13-16,19-20H,3-9H2,1-2H3,(H,18,21)/t11-,13+,14-,15-,16-/m1/s1.
What are the key properties of N-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-cyclopentylpropanamide?
N-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-cyclopentylpropanamide has a molecular weight of 343.42 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-cyclopentylpropanamide is sourced from PubChem (CID 25267494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).