N-(pyrrolidin-1-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide

C15H28N2O6 — CID 139295602

IUPACN-(pyrrolidin-1-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
SMILESCCCC(=O)N(CN1CCCC1)[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H28N2O6/c1-2-5-11(19)17(9-16-6-3-4-7-16)12-14(21)13(20)10(8-18)23-15(12)22/h10,12-15,18,20-22H,2-9H2,1H3/t10-,12-,13-,14-,15?/m1/s1
InChIKeyWUVCOWAKUNSQQI-RKHBJWJHSA-N
MW332.40 g/mol
LogP-1.53
Rot. Bonds6

About N-(pyrrolidin-1-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide

N-(pyrrolidin-1-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide (PubChem CID 139295602) has the molecular formula C15H28N2O6 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(pyrrolidin-1-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide.

Molecular Properties

Compound NameN-(pyrrolidin-1-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
PubChem CID139295602
Molecular FormulaC15H28N2O6
Molecular Weight332.40 g/mol
Exact Mass332.19
IUPAC NameN-(pyrrolidin-1-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
SMILESCCCC(=O)N(CN1CCCC1)[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H28N2O6/c1-2-5-11(19)17(9-16-6-3-4-7-16)12-14(21)13(20)10(8-18)23-15(12)22/h10,12-15,18,20-22H,2-9H2,1H3/t10-,12-,13-,14-,15?/m1/s1
InChIKeyWUVCOWAKUNSQQI-RKHBJWJHSA-N
XLogP-1.53
TPSA113.70 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-(pyrrolidin-1-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide 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

ethyl N-butanoyl-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
CID 139295382
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl N-butanoyl-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
CID 139295943
4-[butanoyl-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]oxy-4-oxobutanoic acid
CID 139295593
(2R,3S,4R,5S,6R)-3-(diethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 124748068
(2S,3R,4S,5S,6S)-3-(diethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 51870558
[butanoyl-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl] 2-(2-methoxyethoxy)ethyl carbonate
CID 156656662
N-methyl-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]tetradec-9-enamide
CID 141410246
N-(2-thiophen-2-ylpropan-2-yl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 139295266
N-[(5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 71235358
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;butanoic acid
CID 134501433
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 90352171
N-[(2R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 58852887

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-1-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide?
The IUPAC name of N-(pyrrolidin-1-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide (CID 139295602) is N-(pyrrolidin-1-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide.
What is the SMILES notation for N-(pyrrolidin-1-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide?
The canonical SMILES for N-(pyrrolidin-1-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide is CCCC(=O)N(CN1CCCC1)[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-(pyrrolidin-1-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide?
The InChIKey is WUVCOWAKUNSQQI-RKHBJWJHSA-N. The full InChI is InChI=1S/C15H28N2O6/c1-2-5-11(19)17(9-16-6-3-4-7-16)12-14(21)13(20)10(8-18)23-15(12)22/h10,12-15,18,20-22H,2-9H2,1H3/t10-,12-,13-,14-,15?/m1/s1.
What are the key properties of N-(pyrrolidin-1-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide?
N-(pyrrolidin-1-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide has a molecular weight of 332.40 g/mol, XLogP of -1.53, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-1-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide is sourced from PubChem (CID 139295602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).