(2R)-2-[(1R)-1-amino-2-oxoethoxy]-3-hydroxypropanal

C5H9NO4 — CID 87171335

IUPAC(2R)-2-[(1R)-1-amino-2-oxoethoxy]-3-hydroxypropanal
SMILESN[C@@H](C=O)O[C@@H](C=O)CO
InChIInChI=1S/C5H9NO4/c6-5(3-9)10-4(1-7)2-8/h1,3-5,8H,2,6H2/t4-,5+/m0/s1
InChIKeySWIFWCBOUGTJQC-CRCLSJGQSA-N
MW147.13 g/mol
LogP-1.95
Rot. Bonds5

About (2R)-2-[(1R)-1-amino-2-oxoethoxy]-3-hydroxypropanal

(2R)-2-[(1R)-1-amino-2-oxoethoxy]-3-hydroxypropanal (PubChem CID 87171335) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-amino-2-oxoethoxy]-3-hydroxypropanal.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-amino-2-oxoethoxy]-3-hydroxypropanal
PubChem CID87171335
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name(2R)-2-[(1R)-1-amino-2-oxoethoxy]-3-hydroxypropanal
SMILESN[C@@H](C=O)O[C@@H](C=O)CO
InChIInChI=1S/C5H9NO4/c6-5(3-9)10-4(1-7)2-8/h1,3-5,8H,2,6H2/t4-,5+/m0/s1
InChIKeySWIFWCBOUGTJQC-CRCLSJGQSA-N
XLogP-1.95
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-1.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-hydroxy-2-pentan-3-yloxypropanal
CID 46217240
2-[(1R,2R)-3-hydrazinyl-1,2-dihydroxypropoxy]-3-hydroxypropanal
CID 126603538
3-(1-carboxy-3-oxopropan-2-yl)oxy-4-oxobutanoic acid
CID 54490256
2-amino-2-[2-(2-hydroxyethoxy)ethoxy]acetaldehyde
CID 175378786
(2R,4S,5R)-2-aminooxy-4,5,6-trihydroxyhexanal
CID 88657763
2-(2-ethenoxyethoxy)-3-hydroxypropanal
CID 91341078
2-[1-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxyethoxy]-3-hydroxypropanal
CID 170585290
4-oxo-3-propan-2-yloxybutanoic acid
CID 177019127
[(2R)-1-methoxy-3-oxopropan-2-yl] carbamate
CID 175397204
[(2R,4R,5R)-4,5,6-trihydroxy-1-oxohexan-2-yl] hypoiodite
CID 88710909
(2S)-2-[(2S,3R,4S,5R)-2-amino-4,5,6-trihydroxy-1-oxohexan-3-yl]oxypropanoic acid
CID 125115519
(3S,4S)-3,4,5-trihydroxypentanal
CID 6994526

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1-amino-2-oxoethoxy]-3-hydroxypropanal?
The IUPAC name of (2R)-2-[(1R)-1-amino-2-oxoethoxy]-3-hydroxypropanal (CID 87171335) is (2R)-2-[(1R)-1-amino-2-oxoethoxy]-3-hydroxypropanal.
What is the SMILES notation for (2R)-2-[(1R)-1-amino-2-oxoethoxy]-3-hydroxypropanal?
The canonical SMILES for (2R)-2-[(1R)-1-amino-2-oxoethoxy]-3-hydroxypropanal is N[C@@H](C=O)O[C@@H](C=O)CO.
What is the InChIKey of (2R)-2-[(1R)-1-amino-2-oxoethoxy]-3-hydroxypropanal?
The InChIKey is SWIFWCBOUGTJQC-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H9NO4/c6-5(3-9)10-4(1-7)2-8/h1,3-5,8H,2,6H2/t4-,5+/m0/s1.
What are the key properties of (2R)-2-[(1R)-1-amino-2-oxoethoxy]-3-hydroxypropanal?
(2R)-2-[(1R)-1-amino-2-oxoethoxy]-3-hydroxypropanal has a molecular weight of 147.13 g/mol, XLogP of -1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-amino-2-oxoethoxy]-3-hydroxypropanal is sourced from PubChem (CID 87171335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).