ethyl 3-hydroxy-2-(2-methylpropylamino)propanoate

C9H19NO3 — CID 104711257

IUPACethyl 3-hydroxy-2-(2-methylpropylamino)propanoate
SMILESCCOC(=O)C(CO)NCC(C)C
InChIInChI=1S/C9H19NO3/c1-4-13-9(12)8(6-11)10-5-7(2)3/h7-8,10-11H,4-6H2,1-3H3
InChIKeyTZJUQFRIGKQXPM-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.16
Rot. Bonds6

About ethyl 3-hydroxy-2-(2-methylpropylamino)propanoate

ethyl 3-hydroxy-2-(2-methylpropylamino)propanoate (PubChem CID 104711257) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is ethyl 3-hydroxy-2-(2-methylpropylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-2-(2-methylpropylamino)propanoate
PubChem CID104711257
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nameethyl 3-hydroxy-2-(2-methylpropylamino)propanoate
SMILESCCOC(=O)C(CO)NCC(C)C
InChIInChI=1S/C9H19NO3/c1-4-13-9(12)8(6-11)10-5-7(2)3/h7-8,10-11H,4-6H2,1-3H3
InChIKeyTZJUQFRIGKQXPM-UHFFFAOYSA-N
XLogP0.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-methylpropylamino)pentanoate
CID 61001695
ethyl 2-(2-methylpropylamino)nonanoate
CID 55224125
[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]methylphosphonic acid
CID 174568005
3-hydroxy-2-(2-methylpropylamino)propanoic acid
CID 83635492
ethyl (2S)-3-hydroxy-2-(2-methylpropanoylamino)propanoate
CID 59016112
ethyl (2S,3R)-3-hydroxy-2-(2-methylpropylamino)butanoate
CID 46217227
ethyl 2-acetamido-3-hydroxypropanoate
CID 14420231
ethyl 2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoate;hydrochloride
CID 156620479
ethyl 2-[2-(2-hydroxyethyl)pentylamino]pentanoate
CID 106115403
tert-butyl 2-(2-methylpropylamino)pentanoate
CID 75458085
ethyl 2-amino-5-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoate
CID 72570963
ethyl 2-[(1-hydroxy-4-methylpentan-2-yl)amino]pentanoate
CID 83041514

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-2-(2-methylpropylamino)propanoate?
The IUPAC name of ethyl 3-hydroxy-2-(2-methylpropylamino)propanoate (CID 104711257) is ethyl 3-hydroxy-2-(2-methylpropylamino)propanoate.
What is the SMILES notation for ethyl 3-hydroxy-2-(2-methylpropylamino)propanoate?
The canonical SMILES for ethyl 3-hydroxy-2-(2-methylpropylamino)propanoate is CCOC(=O)C(CO)NCC(C)C.
What is the InChIKey of ethyl 3-hydroxy-2-(2-methylpropylamino)propanoate?
The InChIKey is TZJUQFRIGKQXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-13-9(12)8(6-11)10-5-7(2)3/h7-8,10-11H,4-6H2,1-3H3.
What are the key properties of ethyl 3-hydroxy-2-(2-methylpropylamino)propanoate?
ethyl 3-hydroxy-2-(2-methylpropylamino)propanoate has a molecular weight of 189.25 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-2-(2-methylpropylamino)propanoate is sourced from PubChem (CID 104711257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).