methyl 3-(ethylamino)-3-(3-propylimidazol-4-yl)propanoate

C12H21N3O2 — CID 66131265

IUPACmethyl 3-(ethylamino)-3-(3-propylimidazol-4-yl)propanoate
SMILESCCCn1cncc1C(CC(=O)OC)NCC
InChIInChI=1S/C12H21N3O2/c1-4-6-15-9-13-8-11(15)10(14-5-2)7-12(16)17-3/h8-10,14H,4-7H2,1-3H3
InChIKeyLQFOUXGABOPKOC-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.51
Rot. Bonds7

About methyl 3-(ethylamino)-3-(3-propylimidazol-4-yl)propanoate

methyl 3-(ethylamino)-3-(3-propylimidazol-4-yl)propanoate (PubChem CID 66131265) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is methyl 3-(ethylamino)-3-(3-propylimidazol-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(ethylamino)-3-(3-propylimidazol-4-yl)propanoate
PubChem CID66131265
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Namemethyl 3-(ethylamino)-3-(3-propylimidazol-4-yl)propanoate
SMILESCCCn1cncc1C(CC(=O)OC)NCC
InChIInChI=1S/C12H21N3O2/c1-4-6-15-9-13-8-11(15)10(14-5-2)7-12(16)17-3/h8-10,14H,4-7H2,1-3H3
InChIKeyLQFOUXGABOPKOC-UHFFFAOYSA-N
XLogP1.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-3-(3-propylimidazol-4-yl)hexanoate
CID 66132058
(3S)-3-acetamido-3-(3-propylimidazol-4-yl)propanoic acid
CID 66133349
methyl 3-[(3-propylimidazol-4-yl)methylamino]-3-thiophen-2-ylpropanoate
CID 66130943
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-propylimidazol-4-yl)propanoic acid
CID 66135618
2-(2-methylpropylamino)-2-(3-propylimidazol-4-yl)acetic acid
CID 66130024
(3R)-3-(phenylmethoxycarbonylamino)-3-(3-propylimidazol-4-yl)propanoic acid
CID 103696724
methyl 4-(3-ethylimidazol-4-yl)-3-methyl-4-oxobutanoate
CID 66133202
methyl 2-(butan-2-ylamino)-2-(3-propylimidazol-4-yl)acetate
CID 66131426
N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130411
2-(diethylamino)-2-(3-propylimidazol-4-yl)acetic acid
CID 66130451
3-propylimidazole-4-carboxylic acid
CID 45082087
methyl 2-(2-azidoethylamino)-2-(3-propylimidazol-4-yl)acetate
CID 66191205

Frequently Asked Questions

What is the IUPAC name of methyl 3-(ethylamino)-3-(3-propylimidazol-4-yl)propanoate?
The IUPAC name of methyl 3-(ethylamino)-3-(3-propylimidazol-4-yl)propanoate (CID 66131265) is methyl 3-(ethylamino)-3-(3-propylimidazol-4-yl)propanoate.
What is the SMILES notation for methyl 3-(ethylamino)-3-(3-propylimidazol-4-yl)propanoate?
The canonical SMILES for methyl 3-(ethylamino)-3-(3-propylimidazol-4-yl)propanoate is CCCn1cncc1C(CC(=O)OC)NCC.
What is the InChIKey of methyl 3-(ethylamino)-3-(3-propylimidazol-4-yl)propanoate?
The InChIKey is LQFOUXGABOPKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-6-15-9-13-8-11(15)10(14-5-2)7-12(16)17-3/h8-10,14H,4-7H2,1-3H3.
What are the key properties of methyl 3-(ethylamino)-3-(3-propylimidazol-4-yl)propanoate?
methyl 3-(ethylamino)-3-(3-propylimidazol-4-yl)propanoate has a molecular weight of 239.32 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(ethylamino)-3-(3-propylimidazol-4-yl)propanoate is sourced from PubChem (CID 66131265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).