methyl 3-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]propanoate

C8H17NO4 — CID 90207580

IUPACmethyl 3-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]propanoate
SMILESCOC(=O)CCN[C@H](CO)[C@@H](C)O
InChIInChI=1S/C8H17NO4/c1-6(11)7(5-10)9-4-3-8(12)13-2/h6-7,9-11H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyBMDANVWXSJUGAA-RNFRBKRXSA-N
MW191.23 g/mol
LogP-1.12
Rot. Bonds6

About methyl 3-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]propanoate

methyl 3-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]propanoate (PubChem CID 90207580) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl 3-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]propanoate
PubChem CID90207580
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Namemethyl 3-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]propanoate
SMILESCOC(=O)CCN[C@H](CO)[C@@H](C)O
InChIInChI=1S/C8H17NO4/c1-6(11)7(5-10)9-4-3-8(12)13-2/h6-7,9-11H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyBMDANVWXSJUGAA-RNFRBKRXSA-N
XLogP-1.12
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]propanoate with MolForge

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Related Compounds

methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]propanoate
CID 90207576
methyl 3-(2-methylpentan-3-ylamino)propanoate
CID 43774714
ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]propanoate
CID 79250354
methyl 3-(3-methylpentan-2-ylamino)propanoate
CID 43139672
methyl 4-[(1-hydroxy-4-methylpentan-3-yl)amino]butanoate
CID 104891908
methyl 3-[[5-(dimethylamino)-4-methylpentan-2-yl]amino]propanoate
CID 174302940
methyl (4S)-5-hydroxy-4-methylpentanoate
CID 162445793
methyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate
CID 60672495
3-(1,3-dihydroxybutan-2-ylamino)propane-1-sulfonic acid
CID 54026549
6-O-(1,2-dihydroxyethyl) 1-O-methyl hexanedioate
CID 174628975
methyl 8-hydroxy-7-methylnonanoate
CID 90765466
methyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate
CID 60719528

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]propanoate?
The IUPAC name of methyl 3-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]propanoate (CID 90207580) is methyl 3-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]propanoate.
What is the SMILES notation for methyl 3-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]propanoate?
The canonical SMILES for methyl 3-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]propanoate is COC(=O)CCN[C@H](CO)[C@@H](C)O.
What is the InChIKey of methyl 3-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]propanoate?
The InChIKey is BMDANVWXSJUGAA-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H17NO4/c1-6(11)7(5-10)9-4-3-8(12)13-2/h6-7,9-11H,3-5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of methyl 3-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]propanoate?
methyl 3-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]propanoate has a molecular weight of 191.23 g/mol, XLogP of -1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]propanoate is sourced from PubChem (CID 90207580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).