methyl 3-[4-hydroxybutanoyl(2-methylpropyl)amino]propanoate

C12H23NO4 — CID 79203299

IUPACmethyl 3-[4-hydroxybutanoyl(2-methylpropyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)CCCO
InChIInChI=1S/C12H23NO4/c1-10(2)9-13(7-6-12(16)17-3)11(15)5-4-8-14/h10,14H,4-9H2,1-3H3
InChIKeyGRUZLUDXWBJDBB-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.81
Rot. Bonds8

About methyl 3-[4-hydroxybutanoyl(2-methylpropyl)amino]propanoate

methyl 3-[4-hydroxybutanoyl(2-methylpropyl)amino]propanoate (PubChem CID 79203299) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 3-[4-hydroxybutanoyl(2-methylpropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-hydroxybutanoyl(2-methylpropyl)amino]propanoate
PubChem CID79203299
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Namemethyl 3-[4-hydroxybutanoyl(2-methylpropyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)CCCO
InChIInChI=1S/C12H23NO4/c1-10(2)9-13(7-6-12(16)17-3)11(15)5-4-8-14/h10,14H,4-9H2,1-3H3
InChIKeyGRUZLUDXWBJDBB-UHFFFAOYSA-N
XLogP0.81
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-hydroxy-N-(2-methylpropyl)butanamide
CID 79203472
methyl 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62010902
4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
CID 78884888
methyl 3-[2-methylpropyl(3-piperidin-4-ylpropanoyl)amino]propanoate
CID 62209865
methyl 3-[3,3-diphenylpropanoyl(2-methylpropyl)amino]propanoate
CID 52663836
3-[2-methylpropyl(pentanoyl)amino]propanoic acid
CID 82323488
methyl 3-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]propanoate
CID 79012450
methyl 3-[(2-chloro-2-fluoroacetyl)-(2-methylpropyl)amino]propanoate
CID 166334711
methyl 3-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]propanoate
CID 60947713
methyl 3-[2-(aminomethyl)pentanoyl-(2-methylpropyl)amino]propanoate
CID 65227098
methyl 3-[2-methylpropyl(2,2,3,3-tetrafluoropropanoyl)amino]propanoate
CID 103733048
methyl 3-[benzoyl(2-methylpropyl)amino]propanoate
CID 60860018

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-hydroxybutanoyl(2-methylpropyl)amino]propanoate?
The IUPAC name of methyl 3-[4-hydroxybutanoyl(2-methylpropyl)amino]propanoate (CID 79203299) is methyl 3-[4-hydroxybutanoyl(2-methylpropyl)amino]propanoate.
What is the SMILES notation for methyl 3-[4-hydroxybutanoyl(2-methylpropyl)amino]propanoate?
The canonical SMILES for methyl 3-[4-hydroxybutanoyl(2-methylpropyl)amino]propanoate is COC(=O)CCN(CC(C)C)C(=O)CCCO.
What is the InChIKey of methyl 3-[4-hydroxybutanoyl(2-methylpropyl)amino]propanoate?
The InChIKey is GRUZLUDXWBJDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-10(2)9-13(7-6-12(16)17-3)11(15)5-4-8-14/h10,14H,4-9H2,1-3H3.
What are the key properties of methyl 3-[4-hydroxybutanoyl(2-methylpropyl)amino]propanoate?
methyl 3-[4-hydroxybutanoyl(2-methylpropyl)amino]propanoate has a molecular weight of 245.32 g/mol, XLogP of 0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-hydroxybutanoyl(2-methylpropyl)amino]propanoate is sourced from PubChem (CID 79203299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).