methyl 3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]butanoate

C10H21NO4 — CID 103952300

IUPACmethyl 3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]butanoate
SMILESCCC(CO)(CO)NC(C)CC(=O)OC
InChIInChI=1S/C10H21NO4/c1-4-10(6-12,7-13)11-8(2)5-9(14)15-3/h8,11-13H,4-7H2,1-3H3
InChIKeyKKMHABIQSVGSKY-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.34
Rot. Bonds7

About methyl 3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]butanoate

methyl 3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]butanoate (PubChem CID 103952300) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]butanoate.

Molecular Properties

Compound Namemethyl 3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]butanoate
PubChem CID103952300
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Namemethyl 3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]butanoate
SMILESCCC(CO)(CO)NC(C)CC(=O)OC
InChIInChI=1S/C10H21NO4/c1-4-10(6-12,7-13)11-8(2)5-9(14)15-3/h8,11-13H,4-7H2,1-3H3
InChIKeyKKMHABIQSVGSKY-UHFFFAOYSA-N
XLogP-0.34
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(hydroxymethyl)pentan-3-ylamino]butanoic acid
CID 62517979
2-ethyl-2-(1-methoxypropan-2-ylamino)propane-1,3-diol
CID 103935629
3-[3-(hydroxymethyl)pentan-3-ylamino]-N-methylbutanamide
CID 115920289
2-ethyl-2-(4-methylpentan-2-ylamino)propane-1,3-diol
CID 115927596
2-ethyl-2-(1-methylsulfonylpropan-2-ylamino)propane-1,3-diol
CID 103935626
methyl 3-(hydroxyamino)butanoate
CID 103282672
methyl (3R)-3-(phosphanylamino)butanoate
CID 59118777
3-(3-ethylpentan-3-ylamino)-N,N-dimethylbutanamide
CID 115920632
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxypropanamide
CID 103891013
methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]butanoate
CID 106096264
tert-butyl 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanoate
CID 107865292
N,N-diethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanamide
CID 114010536

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]butanoate?
The IUPAC name of methyl 3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]butanoate (CID 103952300) is methyl 3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]butanoate.
What is the SMILES notation for methyl 3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]butanoate?
The canonical SMILES for methyl 3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]butanoate is CCC(CO)(CO)NC(C)CC(=O)OC.
What is the InChIKey of methyl 3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]butanoate?
The InChIKey is KKMHABIQSVGSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-4-10(6-12,7-13)11-8(2)5-9(14)15-3/h8,11-13H,4-7H2,1-3H3.
What are the key properties of methyl 3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]butanoate?
methyl 3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]butanoate has a molecular weight of 219.28 g/mol, XLogP of -0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]butanoate is sourced from PubChem (CID 103952300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).