(2R)-2-[(1R,2R,3R,4R)-1-amino-1-(1,3-dioxolan-2-yl)-3,4,5-trihydroxypentan-2-yl]oxypropanoic acid

C11H21NO8 — CID 170873987

IUPAC(2R)-2-[(1R,2R,3R,4R)-1-amino-1-(1,3-dioxolan-2-yl)-3,4,5-trihydroxypentan-2-yl]oxypropanoic acid
SMILESC[C@@H](O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](N)C1OCCO1)C(=O)O
InChIInChI=1S/C11H21NO8/c1-5(10(16)17)20-9(8(15)6(14)4-13)7(12)11-18-2-3-19-11/h5-9,11,13-15H,2-4,12H2,1H3,(H,16,17)/t5-,6-,7-,8-,9-/m1/s1
InChIKeyCBZYFLKXUHGDNM-JGKVKWKGSA-N
MW295.29 g/mol
LogP-2.74
Rot. Bonds8

About (2R)-2-[(1R,2R,3R,4R)-1-amino-1-(1,3-dioxolan-2-yl)-3,4,5-trihydroxypentan-2-yl]oxypropanoic acid

(2R)-2-[(1R,2R,3R,4R)-1-amino-1-(1,3-dioxolan-2-yl)-3,4,5-trihydroxypentan-2-yl]oxypropanoic acid (PubChem CID 170873987) has the molecular formula C11H21NO8 and a molecular weight of 295.29 g/mol. Its IUPAC name is (2R)-2-[(1R,2R,3R,4R)-1-amino-1-(1,3-dioxolan-2-yl)-3,4,5-trihydroxypentan-2-yl]oxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1R,2R,3R,4R)-1-amino-1-(1,3-dioxolan-2-yl)-3,4,5-trihydroxypentan-2-yl]oxypropanoic acid
PubChem CID170873987
Molecular FormulaC11H21NO8
Molecular Weight295.29 g/mol
Exact Mass295.13
IUPAC Name(2R)-2-[(1R,2R,3R,4R)-1-amino-1-(1,3-dioxolan-2-yl)-3,4,5-trihydroxypentan-2-yl]oxypropanoic acid
SMILESC[C@@H](O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](N)C1OCCO1)C(=O)O
InChIInChI=1S/C11H21NO8/c1-5(10(16)17)20-9(8(15)6(14)4-13)7(12)11-18-2-3-19-11/h5-9,11,13-15H,2-4,12H2,1H3,(H,16,17)/t5-,6-,7-,8-,9-/m1/s1
InChIKeyCBZYFLKXUHGDNM-JGKVKWKGSA-N
XLogP-2.74
TPSA151.70 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 5-2.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze (2R)-2-[(1R,2R,3R,4R)-1-amino-1-(1,3-dioxolan-2-yl)-3,4,5-trihydroxypentan-2-yl]oxypropanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[(2S,3R,4S,5R)-2-amino-4,5,6-trihydroxy-1-oxohexan-3-yl]oxypropanoic acid
CID 125115519
2-aminopropanoic acid;hexane-1,2,3,4,5,6-hexol
CID 174331247
2-[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]oxypropanoic acid
CID 18641746
2-(1-aminoethoxy)-3,4,5,6-tetrahydroxyhexanoic acid
CID 87421563
2-[(2R,3R,4R,5S,6R)-2,3,4,5,6,7-hexahydroxyheptanoyl]oxypropanoic acid
CID 88767921
2-amino-3-hydroxybutanoic acid;hexane-1,2,3,4,5,6-hexol
CID 174656695
(2R)-2-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxypropanoic acid
CID 91483280
(2S,3S)-2-amino-3-methylpentanoic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 86617048
(2S,3S,4S)-2-amino-3,4,5-trihydroxypentanoic acid
CID 11126623
3,4-dihydroxy-2-[(1R)-1-hydroxyethoxy]butanoic acid
CID 122551455
4,5,6-trihydroxy-2-iodo-3-methoxyhexanoic acid
CID 121300839
1,4-dioxane-2,3-diol;2-hydroxypropanoic acid;titanium
CID 174822799

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R,2R,3R,4R)-1-amino-1-(1,3-dioxolan-2-yl)-3,4,5-trihydroxypentan-2-yl]oxypropanoic acid?
The IUPAC name of (2R)-2-[(1R,2R,3R,4R)-1-amino-1-(1,3-dioxolan-2-yl)-3,4,5-trihydroxypentan-2-yl]oxypropanoic acid (CID 170873987) is (2R)-2-[(1R,2R,3R,4R)-1-amino-1-(1,3-dioxolan-2-yl)-3,4,5-trihydroxypentan-2-yl]oxypropanoic acid.
What is the SMILES notation for (2R)-2-[(1R,2R,3R,4R)-1-amino-1-(1,3-dioxolan-2-yl)-3,4,5-trihydroxypentan-2-yl]oxypropanoic acid?
The canonical SMILES for (2R)-2-[(1R,2R,3R,4R)-1-amino-1-(1,3-dioxolan-2-yl)-3,4,5-trihydroxypentan-2-yl]oxypropanoic acid is C[C@@H](O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](N)C1OCCO1)C(=O)O.
What is the InChIKey of (2R)-2-[(1R,2R,3R,4R)-1-amino-1-(1,3-dioxolan-2-yl)-3,4,5-trihydroxypentan-2-yl]oxypropanoic acid?
The InChIKey is CBZYFLKXUHGDNM-JGKVKWKGSA-N. The full InChI is InChI=1S/C11H21NO8/c1-5(10(16)17)20-9(8(15)6(14)4-13)7(12)11-18-2-3-19-11/h5-9,11,13-15H,2-4,12H2,1H3,(H,16,17)/t5-,6-,7-,8-,9-/m1/s1.
What are the key properties of (2R)-2-[(1R,2R,3R,4R)-1-amino-1-(1,3-dioxolan-2-yl)-3,4,5-trihydroxypentan-2-yl]oxypropanoic acid?
(2R)-2-[(1R,2R,3R,4R)-1-amino-1-(1,3-dioxolan-2-yl)-3,4,5-trihydroxypentan-2-yl]oxypropanoic acid has a molecular weight of 295.29 g/mol, XLogP of -2.74, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R,2R,3R,4R)-1-amino-1-(1,3-dioxolan-2-yl)-3,4,5-trihydroxypentan-2-yl]oxypropanoic acid is sourced from PubChem (CID 170873987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).