(2S)-2-amino-3-methoxypropanal

C4H9NO2 — CID 18395600

IUPAC(2S)-2-amino-3-methoxypropanal
SMILESCOC[C@H](N)C=O
InChIInChI=1S/C4H9NO2/c1-7-3-4(5)2-6/h2,4H,3,5H2,1H3/t4-/m1/s1
InChIKeyASSUHGNZHRLKBQ-SCSAIBSYSA-N
MW103.12 g/mol
LogP-0.84
Rot. Bonds3

About (2S)-2-amino-3-methoxypropanal

(2S)-2-amino-3-methoxypropanal (PubChem CID 18395600) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is (2S)-2-amino-3-methoxypropanal.

Molecular Properties

Compound Name(2S)-2-amino-3-methoxypropanal
PubChem CID18395600
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name(2S)-2-amino-3-methoxypropanal
SMILESCOC[C@H](N)C=O
InChIInChI=1S/C4H9NO2/c1-7-3-4(5)2-6/h2,4H,3,5H2,1H3/t4-/m1/s1
InChIKeyASSUHGNZHRLKBQ-SCSAIBSYSA-N
XLogP-0.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,3-dimethoxypropanal
CID 12962856
(2R)-2,3-dimethoxypropanal
CID 12962855
(2S,3S)-1,4-dimethoxybutane-2,3-diamine
CID 11051828
2-aminobutanal;ethoxyethane
CID 174799837
(2R)-2-amino-3-methylsulfanylpropanal
CID 56634175
2-amino-5-methoxy-3-sulfanylpentanal
CID 174251334
[(2R)-1-methoxy-3-oxopropan-2-yl] carbamate
CID 175397204
(2R)-2-amino-4,4-dimethylpentanal
CID 90948375
propan-2-yl 2-[2-(2-amino-3-oxopropoxy)ethylamino]acetate
CID 170222186
methyl 5-amino-6-oxohexanoate
CID 78438770
2,4,4-triaminopentanal
CID 168758878
methyl (2S)-2-amino-3-methoxypropanoate
CID 11182627

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methoxypropanal?
The IUPAC name of (2S)-2-amino-3-methoxypropanal (CID 18395600) is (2S)-2-amino-3-methoxypropanal.
What is the SMILES notation for (2S)-2-amino-3-methoxypropanal?
The canonical SMILES for (2S)-2-amino-3-methoxypropanal is COC[C@H](N)C=O.
What is the InChIKey of (2S)-2-amino-3-methoxypropanal?
The InChIKey is ASSUHGNZHRLKBQ-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-7-3-4(5)2-6/h2,4H,3,5H2,1H3/t4-/m1/s1.
What are the key properties of (2S)-2-amino-3-methoxypropanal?
(2S)-2-amino-3-methoxypropanal has a molecular weight of 103.12 g/mol, XLogP of -0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methoxypropanal is sourced from PubChem (CID 18395600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).