methyl (2R,3R)-3-amino-2,3-dihydroxypropanoate

C4H9NO4 — CID 135210741

IUPACmethyl (2R,3R)-3-amino-2,3-dihydroxypropanoate
SMILESCOC(=O)[C@H](O)[C@H](N)O
InChIInChI=1S/C4H9NO4/c1-9-4(8)2(6)3(5)7/h2-3,6-7H,5H2,1H3/t2-,3-/m1/s1
InChIKeyKNSFYRSDWYLLJH-PWNYCUMCSA-N
MW135.12 g/mol
LogP-2.20
Rot. Bonds2

About methyl (2R,3R)-3-amino-2,3-dihydroxypropanoate

methyl (2R,3R)-3-amino-2,3-dihydroxypropanoate (PubChem CID 135210741) has the molecular formula C4H9NO4 and a molecular weight of 135.12 g/mol. Its IUPAC name is methyl (2R,3R)-3-amino-2,3-dihydroxypropanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-amino-2,3-dihydroxypropanoate
PubChem CID135210741
Molecular FormulaC4H9NO4
Molecular Weight135.12 g/mol
Exact Mass135.05
IUPAC Namemethyl (2R,3R)-3-amino-2,3-dihydroxypropanoate
SMILESCOC(=O)[C@H](O)[C@H](N)O
InChIInChI=1S/C4H9NO4/c1-9-4(8)2(6)3(5)7/h2-3,6-7H,5H2,1H3/t2-,3-/m1/s1
InChIKeyKNSFYRSDWYLLJH-PWNYCUMCSA-N
XLogP-2.20
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 5-2.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dimethyl (2S)-2-amino-3-hydroxybutanedioate
CID 11030367
methyl 3-amino-2-hydroxybutanoate;hydrochloride
CID 135262653
(2S,3R)-2-amino-3-hydroxy-4-methoxy-4-oxobutanoic acid
CID 11008248
methyl (2S)-3,3-difluoro-2-hydroxypropanoate
CID 178200832
methyl (2R,3R)-4-chloro-2,3-dihydroxybutanoate
CID 24857982
dimethyl (2R,3R)-2-bromo-3-hydroxybutanedioate
CID 45116933
methyl (2S,3R)-3-amino-2-hydroxyhexanoate
CID 56605369
methyl (2R,3R)-2-hydroxy-3-methylpentanoate
CID 13262413
methyl (2S,3R)-2-hydroxy-3-methylpentanoate
CID 13262415
copper(1+);2,3-dihydroxy-4-methoxy-4-oxobutanoate
CID 175450123
methyl 2,3-dihydroxy-3-(2,3,4,5,6-pentafluorophenyl)propanoate
CID 72796767
methyl (3S)-3-amino-2-hydroxyhexanoate;hydrochloride
CID 90189651

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-amino-2,3-dihydroxypropanoate?
The IUPAC name of methyl (2R,3R)-3-amino-2,3-dihydroxypropanoate (CID 135210741) is methyl (2R,3R)-3-amino-2,3-dihydroxypropanoate.
What is the SMILES notation for methyl (2R,3R)-3-amino-2,3-dihydroxypropanoate?
The canonical SMILES for methyl (2R,3R)-3-amino-2,3-dihydroxypropanoate is COC(=O)[C@H](O)[C@H](N)O.
What is the InChIKey of methyl (2R,3R)-3-amino-2,3-dihydroxypropanoate?
The InChIKey is KNSFYRSDWYLLJH-PWNYCUMCSA-N. The full InChI is InChI=1S/C4H9NO4/c1-9-4(8)2(6)3(5)7/h2-3,6-7H,5H2,1H3/t2-,3-/m1/s1.
What are the key properties of methyl (2R,3R)-3-amino-2,3-dihydroxypropanoate?
methyl (2R,3R)-3-amino-2,3-dihydroxypropanoate has a molecular weight of 135.12 g/mol, XLogP of -2.20, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-amino-2,3-dihydroxypropanoate is sourced from PubChem (CID 135210741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).