4-amino-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid

C8H15NO6 — CID 135319453

IUPAC4-amino-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)OCC(O)CO
InChIInChI=1S/C8H15NO6/c9-6(1-2-7(12)13)8(14)15-4-5(11)3-10/h5-6,10-11H,1-4,9H2,(H,12,13)
InChIKeyNKLMNPBHRGYRLU-UHFFFAOYSA-N
MW221.21 g/mol
LogP-1.93
Rot. Bonds7

About 4-amino-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid

4-amino-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid (PubChem CID 135319453) has the molecular formula C8H15NO6 and a molecular weight of 221.21 g/mol. Its IUPAC name is 4-amino-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid
PubChem CID135319453
Molecular FormulaC8H15NO6
Molecular Weight221.21 g/mol
Exact Mass221.09
IUPAC Name4-amino-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)OCC(O)CO
InChIInChI=1S/C8H15NO6/c9-6(1-2-7(12)13)8(14)15-4-5(11)3-10/h5-6,10-11H,1-4,9H2,(H,12,13)
InChIKeyNKLMNPBHRGYRLU-UHFFFAOYSA-N
XLogP-1.93
TPSA130.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 5-1.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-amino-4-(2,3-dihydroxypropoxy)-4-oxobutanoic acid
CID 54121468
(4S)-4-acetamido-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid
CID 11129133
4-amino-5-(2,3-dihydroxypropylamino)-5-oxopentanoic acid
CID 66168915
8-(2,3-dihydroxypropoxy)-8-oxooctanoic acid
CID 51136413
(4R)-4-amino-5-methoxy-5-oxopentanoic acid
CID 54301988
[(2S)-2-amino-4-carboxybutanoyl]oxymethyl-triphenylphosphanium
CID 138521747
3-(2,3-dihydroxypropoxycarbonylamino)propanoic acid
CID 155479234
3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid
CID 54010507
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
(2-amino-4-carboxybutanoyl)oxymethyl-triphenylphosphanium bromide
CID 138521750
17-(2,3-dihydroxypropoxy)-11-methyl-17-oxoheptadecanoic acid
CID 88538294

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid (CID 135319453) is 4-amino-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid is NC(CCC(=O)O)C(=O)OCC(O)CO.
What is the InChIKey of 4-amino-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid?
The InChIKey is NKLMNPBHRGYRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO6/c9-6(1-2-7(12)13)8(14)15-4-5(11)3-10/h5-6,10-11H,1-4,9H2,(H,12,13).
What are the key properties of 4-amino-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid?
4-amino-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid has a molecular weight of 221.21 g/mol, XLogP of -1.93, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid is sourced from PubChem (CID 135319453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).