2-hydroxy-3-(3-methoxypropanoylamino)-2-methylpropanoic acid

C8H15NO5 — CID 66172346

IUPAC2-hydroxy-3-(3-methoxypropanoylamino)-2-methylpropanoic acid
SMILESCOCCC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C8H15NO5/c1-8(13,7(11)12)5-9-6(10)3-4-14-2/h13H,3-5H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyFQGHOVKMTKEFDF-UHFFFAOYSA-N
MW205.21 g/mol
LogP-1.03
Rot. Bonds6

About 2-hydroxy-3-(3-methoxypropanoylamino)-2-methylpropanoic acid

2-hydroxy-3-(3-methoxypropanoylamino)-2-methylpropanoic acid (PubChem CID 66172346) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-hydroxy-3-(3-methoxypropanoylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(3-methoxypropanoylamino)-2-methylpropanoic acid
PubChem CID66172346
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2-hydroxy-3-(3-methoxypropanoylamino)-2-methylpropanoic acid
SMILESCOCCC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C8H15NO5/c1-8(13,7(11)12)5-9-6(10)3-4-14-2/h13H,3-5H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyFQGHOVKMTKEFDF-UHFFFAOYSA-N
XLogP-1.03
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-4-methoxybutanamide
CID 115365695
2-hydroxy-3-[2-(2-methoxyethoxy)ethylcarbamoylamino]-2-methylpropanoic acid
CID 66175532
2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
CID 66177000
3-(6-acetamidohexanoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66172183
2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid
CID 66172744
2-hydroxy-2-methyl-3-[(2-methylsulfanylacetyl)amino]propanoic acid
CID 66171975
2-hydroxy-3-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 103018889
N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 103712321
2-hydroxy-3-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpropanoic acid
CID 66173456
tert-butyl 2-(3-methoxypropanoylamino)acetate
CID 173312753
N-[2-(3-methoxypropanoylamino)ethyl]-3,3-dimethylbutanamide
CID 108574166
3-[2-(3-methoxypropanoylamino)ethylsulfanyl]propanoic acid
CID 115731555

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(3-methoxypropanoylamino)-2-methylpropanoic acid?
The IUPAC name of 2-hydroxy-3-(3-methoxypropanoylamino)-2-methylpropanoic acid (CID 66172346) is 2-hydroxy-3-(3-methoxypropanoylamino)-2-methylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-(3-methoxypropanoylamino)-2-methylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-(3-methoxypropanoylamino)-2-methylpropanoic acid is COCCC(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-(3-methoxypropanoylamino)-2-methylpropanoic acid?
The InChIKey is FQGHOVKMTKEFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-8(13,7(11)12)5-9-6(10)3-4-14-2/h13H,3-5H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 2-hydroxy-3-(3-methoxypropanoylamino)-2-methylpropanoic acid?
2-hydroxy-3-(3-methoxypropanoylamino)-2-methylpropanoic acid has a molecular weight of 205.21 g/mol, XLogP of -1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(3-methoxypropanoylamino)-2-methylpropanoic acid is sourced from PubChem (CID 66172346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).