ethyl 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-methylpropanoate

C10H21NO4 — CID 106190326

IUPACethyl 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CNC(CO)COC
InChIInChI=1S/C10H21NO4/c1-4-15-10(13)8(2)5-11-9(6-12)7-14-3/h8-9,11-12H,4-7H2,1-3H3
InChIKeyHAKUMMOLRUXRKX-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.22
Rot. Bonds8

About ethyl 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-methylpropanoate

ethyl 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-methylpropanoate (PubChem CID 106190326) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethyl 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-methylpropanoate
PubChem CID106190326
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Nameethyl 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CNC(CO)COC
InChIInChI=1S/C10H21NO4/c1-4-15-10(13)8(2)5-11-9(6-12)7-14-3/h8-9,11-12H,4-7H2,1-3H3
InChIKeyHAKUMMOLRUXRKX-UHFFFAOYSA-N
XLogP-0.22
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoic acid
CID 106190983
2-(2-hydroxypropylamino)-3-methoxypropan-1-ol
CID 106190268
ethyl 3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-2-methylpropanoate
CID 106160496
benzyl 3-(1-methoxybutan-2-ylamino)-2-methylpropanoate
CID 106484043
ethyl 3-(ethoxyamino)-2-methylpropanoate
CID 64974924
ethyl 3-(2-methoxyethoxy)-2-methylpropanoate
CID 114997793
1-(2-ethoxyethoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol
CID 114156052
ethyl 3-hydroxy-2-(2-methylpropylamino)propanoate
CID 104711257
methyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoate
CID 106187566
ethyl (2S)-3-acetamido-2-methylpropanoate
CID 15606037
3-methoxy-2-(nonylamino)propan-1-ol
CID 106190641
2-(decylamino)-3-methoxypropan-1-ol
CID 114155671

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-methylpropanoate?
The IUPAC name of ethyl 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-methylpropanoate (CID 106190326) is ethyl 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-methylpropanoate.
What is the SMILES notation for ethyl 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-methylpropanoate?
The canonical SMILES for ethyl 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-methylpropanoate is CCOC(=O)C(C)CNC(CO)COC.
What is the InChIKey of ethyl 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-methylpropanoate?
The InChIKey is HAKUMMOLRUXRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-4-15-10(13)8(2)5-11-9(6-12)7-14-3/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of ethyl 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-methylpropanoate?
ethyl 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-methylpropanoate has a molecular weight of 219.28 g/mol, XLogP of -0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-methylpropanoate is sourced from PubChem (CID 106190326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).