N-[(1R)-1,3-dihydroxy-1-(2-hydroxyethoxy)-4-methoxybutan-2-yl]acetamide

C9H19NO6 — CID 89424443

IUPACN-[(1R)-1,3-dihydroxy-1-(2-hydroxyethoxy)-4-methoxybutan-2-yl]acetamide
SMILESCOCC(O)C(NC(C)=O)[C@H](O)OCCO
InChIInChI=1S/C9H19NO6/c1-6(12)10-8(7(13)5-15-2)9(14)16-4-3-11/h7-9,11,13-14H,3-5H2,1-2H3,(H,10,12)/t7?,8?,9-/m1/s1
InChIKeyNRBGDMDUTHRARD-AMDVSUOASA-N
MW237.25 g/mol
LogP-2.17
Rot. Bonds8

About N-[(1R)-1,3-dihydroxy-1-(2-hydroxyethoxy)-4-methoxybutan-2-yl]acetamide

N-[(1R)-1,3-dihydroxy-1-(2-hydroxyethoxy)-4-methoxybutan-2-yl]acetamide (PubChem CID 89424443) has the molecular formula C9H19NO6 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-[(1R)-1,3-dihydroxy-1-(2-hydroxyethoxy)-4-methoxybutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1,3-dihydroxy-1-(2-hydroxyethoxy)-4-methoxybutan-2-yl]acetamide
PubChem CID89424443
Molecular FormulaC9H19NO6
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC NameN-[(1R)-1,3-dihydroxy-1-(2-hydroxyethoxy)-4-methoxybutan-2-yl]acetamide
SMILESCOCC(O)C(NC(C)=O)[C@H](O)OCCO
InChIInChI=1S/C9H19NO6/c1-6(12)10-8(7(13)5-15-2)9(14)16-4-3-11/h7-9,11,13-14H,3-5H2,1-2H3,(H,10,12)/t7?,8?,9-/m1/s1
InChIKeyNRBGDMDUTHRARD-AMDVSUOASA-N
XLogP-2.17
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 5-2.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1,3-dihydroxy-1-(2-hydroxyethoxy)-4-methoxybutan-2-yl]acetamide?
The IUPAC name of N-[(1R)-1,3-dihydroxy-1-(2-hydroxyethoxy)-4-methoxybutan-2-yl]acetamide (CID 89424443) is N-[(1R)-1,3-dihydroxy-1-(2-hydroxyethoxy)-4-methoxybutan-2-yl]acetamide.
What is the SMILES notation for N-[(1R)-1,3-dihydroxy-1-(2-hydroxyethoxy)-4-methoxybutan-2-yl]acetamide?
The canonical SMILES for N-[(1R)-1,3-dihydroxy-1-(2-hydroxyethoxy)-4-methoxybutan-2-yl]acetamide is COCC(O)C(NC(C)=O)[C@H](O)OCCO.
What is the InChIKey of N-[(1R)-1,3-dihydroxy-1-(2-hydroxyethoxy)-4-methoxybutan-2-yl]acetamide?
The InChIKey is NRBGDMDUTHRARD-AMDVSUOASA-N. The full InChI is InChI=1S/C9H19NO6/c1-6(12)10-8(7(13)5-15-2)9(14)16-4-3-11/h7-9,11,13-14H,3-5H2,1-2H3,(H,10,12)/t7?,8?,9-/m1/s1.
What are the key properties of N-[(1R)-1,3-dihydroxy-1-(2-hydroxyethoxy)-4-methoxybutan-2-yl]acetamide?
N-[(1R)-1,3-dihydroxy-1-(2-hydroxyethoxy)-4-methoxybutan-2-yl]acetamide has a molecular weight of 237.25 g/mol, XLogP of -2.17, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1,3-dihydroxy-1-(2-hydroxyethoxy)-4-methoxybutan-2-yl]acetamide is sourced from PubChem (CID 89424443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).