methyl (3R)-4-hydroxy-3-(methylamino)butanoate

C6H13NO3 — CID 88981665

IUPACmethyl (3R)-4-hydroxy-3-(methylamino)butanoate
SMILESCN[C@@H](CO)CC(=O)OC
InChIInChI=1S/C6H13NO3/c1-7-5(4-8)3-6(9)10-2/h5,7-8H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyFSGMFIZAKJNFPW-RXMQYKEDSA-N
MW147.17 g/mol
LogP-0.87
Rot. Bonds4

About methyl (3R)-4-hydroxy-3-(methylamino)butanoate

methyl (3R)-4-hydroxy-3-(methylamino)butanoate (PubChem CID 88981665) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is methyl (3R)-4-hydroxy-3-(methylamino)butanoate.

Molecular Properties

Compound Namemethyl (3R)-4-hydroxy-3-(methylamino)butanoate
PubChem CID88981665
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Namemethyl (3R)-4-hydroxy-3-(methylamino)butanoate
SMILESCN[C@@H](CO)CC(=O)OC
InChIInChI=1S/C6H13NO3/c1-7-5(4-8)3-6(9)10-2/h5,7-8H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyFSGMFIZAKJNFPW-RXMQYKEDSA-N
XLogP-0.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(3,4-difluorophenyl)-3-(methylamino)butanoate
CID 82351619
methyl 4-methoxy-3-(methoxymethyl)butanoate
CID 170299340
dimethyl 3-(methoxymethyl)pentanedioate
CID 141473714
methyl 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoate
CID 82351560
methyl 3,3-dichloropropanoate
CID 522760
methyl 3,4-dimethylpentanoate
CID 554058
methyl (3R)-3-acetamidopentanoate
CID 11446607
ethane;4-methyl-2-(methylamino)pent-4-en-1-ol
CID 142030684
methyl (3R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate
CID 71251227
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol
CID 104567739
methyl 3-(diethylamino)-4-hydroxybutanoate
CID 105443683
methyl 3,3-diaminopropanoate;hydrochloride
CID 140507920

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-4-hydroxy-3-(methylamino)butanoate?
The IUPAC name of methyl (3R)-4-hydroxy-3-(methylamino)butanoate (CID 88981665) is methyl (3R)-4-hydroxy-3-(methylamino)butanoate.
What is the SMILES notation for methyl (3R)-4-hydroxy-3-(methylamino)butanoate?
The canonical SMILES for methyl (3R)-4-hydroxy-3-(methylamino)butanoate is CN[C@@H](CO)CC(=O)OC.
What is the InChIKey of methyl (3R)-4-hydroxy-3-(methylamino)butanoate?
The InChIKey is FSGMFIZAKJNFPW-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H13NO3/c1-7-5(4-8)3-6(9)10-2/h5,7-8H,3-4H2,1-2H3/t5-/m1/s1.
What are the key properties of methyl (3R)-4-hydroxy-3-(methylamino)butanoate?
methyl (3R)-4-hydroxy-3-(methylamino)butanoate has a molecular weight of 147.17 g/mol, XLogP of -0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-4-hydroxy-3-(methylamino)butanoate is sourced from PubChem (CID 88981665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).