ethyl 3-[(1-hydroxy-4-methylpentan-2-yl)amino]propanoate

C11H23NO3 — CID 61246589

IUPACethyl 3-[(1-hydroxy-4-methylpentan-2-yl)amino]propanoate
SMILESCCOC(=O)CCNC(CO)CC(C)C
InChIInChI=1S/C11H23NO3/c1-4-15-11(14)5-6-12-10(8-13)7-9(2)3/h9-10,12-13H,4-8H2,1-3H3
InChIKeyYMSLRZLMFOJCNK-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.94
Rot. Bonds8

About ethyl 3-[(1-hydroxy-4-methylpentan-2-yl)amino]propanoate

ethyl 3-[(1-hydroxy-4-methylpentan-2-yl)amino]propanoate (PubChem CID 61246589) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is ethyl 3-[(1-hydroxy-4-methylpentan-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(1-hydroxy-4-methylpentan-2-yl)amino]propanoate
PubChem CID61246589
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nameethyl 3-[(1-hydroxy-4-methylpentan-2-yl)amino]propanoate
SMILESCCOC(=O)CCNC(CO)CC(C)C
InChIInChI=1S/C11H23NO3/c1-4-15-11(14)5-6-12-10(8-13)7-9(2)3/h9-10,12-13H,4-8H2,1-3H3
InChIKeyYMSLRZLMFOJCNK-UHFFFAOYSA-N
XLogP0.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(1-hydroxy-4-methylpentan-2-yl)amino]acetate
CID 61247456
ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]propanoate
CID 79250354
methyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate
CID 61499632
2-(2-ethoxyethylamino)-4-methylpentan-1-ol
CID 61246725
ethyl 3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61464453
ethyl 2-[(1-hydroxy-4-methylpentan-2-yl)amino]pentanoate
CID 83041514
2-(butylamino)-4-methylpentan-1-ol
CID 61246841
ethyl 3-[[(3S)-6-acetamidohexan-3-yl]amino]propanoate
CID 125469320
ethyl 3-(2-hydroxypropylamino)propanoate
CID 43389838
ethyl 5-hydroxy-4-(methoxycarbonylamino)pentanoate
CID 71749117
ethyl (3S)-3,5-dimethylhexanoate
CID 12830074
ethyl 3-(methylamino)propanoate;methane
CID 159702101

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1-hydroxy-4-methylpentan-2-yl)amino]propanoate?
The IUPAC name of ethyl 3-[(1-hydroxy-4-methylpentan-2-yl)amino]propanoate (CID 61246589) is ethyl 3-[(1-hydroxy-4-methylpentan-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(1-hydroxy-4-methylpentan-2-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[(1-hydroxy-4-methylpentan-2-yl)amino]propanoate is CCOC(=O)CCNC(CO)CC(C)C.
What is the InChIKey of ethyl 3-[(1-hydroxy-4-methylpentan-2-yl)amino]propanoate?
The InChIKey is YMSLRZLMFOJCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-15-11(14)5-6-12-10(8-13)7-9(2)3/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of ethyl 3-[(1-hydroxy-4-methylpentan-2-yl)amino]propanoate?
ethyl 3-[(1-hydroxy-4-methylpentan-2-yl)amino]propanoate has a molecular weight of 217.31 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(1-hydroxy-4-methylpentan-2-yl)amino]propanoate is sourced from PubChem (CID 61246589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).