(2R,3R)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2,3-dihydroxy-4-oxopentanamide

C13H26N2O7 — CID 163855261

IUPAC(2R,3R)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2,3-dihydroxy-4-oxopentanamide
SMILESCC(=O)[C@H](O)[C@@H](O)C(=O)NCCOCCOCCOCCN
InChIInChI=1S/C13H26N2O7/c1-10(16)11(17)12(18)13(19)15-3-5-21-7-9-22-8-6-20-4-2-14/h11-12,17-18H,2-9,14H2,1H3,(H,15,19)/t11-,12+/m0/s1
InChIKeyOXTAYYYVTWTWQG-NWDGAFQWSA-N
MW322.36 g/mol
LogP-2.58
Rot. Bonds14

About (2R,3R)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2,3-dihydroxy-4-oxopentanamide

(2R,3R)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2,3-dihydroxy-4-oxopentanamide (PubChem CID 163855261) has the molecular formula C13H26N2O7 and a molecular weight of 322.36 g/mol. Its IUPAC name is (2R,3R)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2,3-dihydroxy-4-oxopentanamide.

Molecular Properties

Compound Name(2R,3R)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2,3-dihydroxy-4-oxopentanamide
PubChem CID163855261
Molecular FormulaC13H26N2O7
Molecular Weight322.36 g/mol
Exact Mass322.17
IUPAC Name(2R,3R)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2,3-dihydroxy-4-oxopentanamide
SMILESCC(=O)[C@H](O)[C@@H](O)C(=O)NCCOCCOCCOCCN
InChIInChI=1S/C13H26N2O7/c1-10(16)11(17)12(18)13(19)15-3-5-21-7-9-22-8-6-20-4-2-14/h11-12,17-18H,2-9,14H2,1H3,(H,15,19)/t11-,12+/m0/s1
InChIKeyOXTAYYYVTWTWQG-NWDGAFQWSA-N
XLogP-2.58
TPSA140.34 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 5-2.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 88921275
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2-oxopropoxy)acetamide
CID 58238700
3-[2-(2-aminoethoxy)ethoxy]-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 145049533
N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-methylpentanamide
CID 162756086
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-4-(methylamino)-5-oxohexanamide
CID 178161930
(2S)-2-amino-N-[2-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]ethoxy]ethyl]propanamide
CID 15459454
S-methyl N-[2-(2-aminoethoxy)ethyl]carbamothioate
CID 139475977
2-[2-[3-[2-(2-aminoethoxy)ethoxy]-2-[2-(2-aminoethoxy)ethoxymethyl]propoxy]ethoxy]ethylcarbamic acid
CID 88542577
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide
CID 139566565
2,3-dihydroxy-4-oxo-4-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]butanoic acid
CID 171541687
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2,3-dihydroxy-4-oxopentanamide?
The IUPAC name of (2R,3R)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2,3-dihydroxy-4-oxopentanamide (CID 163855261) is (2R,3R)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2,3-dihydroxy-4-oxopentanamide.
What is the SMILES notation for (2R,3R)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2,3-dihydroxy-4-oxopentanamide?
The canonical SMILES for (2R,3R)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2,3-dihydroxy-4-oxopentanamide is CC(=O)[C@H](O)[C@@H](O)C(=O)NCCOCCOCCOCCN.
What is the InChIKey of (2R,3R)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2,3-dihydroxy-4-oxopentanamide?
The InChIKey is OXTAYYYVTWTWQG-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H26N2O7/c1-10(16)11(17)12(18)13(19)15-3-5-21-7-9-22-8-6-20-4-2-14/h11-12,17-18H,2-9,14H2,1H3,(H,15,19)/t11-,12+/m0/s1.
What are the key properties of (2R,3R)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2,3-dihydroxy-4-oxopentanamide?
(2R,3R)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2,3-dihydroxy-4-oxopentanamide has a molecular weight of 322.36 g/mol, XLogP of -2.58, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2,3-dihydroxy-4-oxopentanamide is sourced from PubChem (CID 163855261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).