ethyl 2-(cyclopropylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate

C14H23N3O2 — CID 66163023

IUPACethyl 2-(cyclopropylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate
SMILESCCOC(=O)C(NCC1CC1)c1cncn1C(C)C
InChIInChI=1S/C14H23N3O2/c1-4-19-14(18)13(16-7-11-5-6-11)12-8-15-9-17(12)10(2)3/h8-11,13,16H,4-7H2,1-3H3
InChIKeyYRSWVTMYMFVMRU-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.07
Rot. Bonds7

About ethyl 2-(cyclopropylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate

ethyl 2-(cyclopropylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate (PubChem CID 66163023) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is ethyl 2-(cyclopropylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate
PubChem CID66163023
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nameethyl 2-(cyclopropylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate
SMILESCCOC(=O)C(NCC1CC1)c1cncn1C(C)C
InChIInChI=1S/C14H23N3O2/c1-4-19-14(18)13(16-7-11-5-6-11)12-8-15-9-17(12)10(2)3/h8-11,13,16H,4-7H2,1-3H3
InChIKeyYRSWVTMYMFVMRU-UHFFFAOYSA-N
XLogP2.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(ethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate
CID 66162019
N-(cyclopropylmethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 66164597
2-(3-propan-2-ylimidazol-4-yl)-2-(propylamino)acetamide
CID 66163621
2-(cyclopropylmethylamino)-2-(3-ethylimidazol-4-yl)acetamide
CID 66134304
2-(cyclopropylmethylamino)-2-(3-methylimidazol-4-yl)acetamide
CID 66117112
2-(oxolan-2-ylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid
CID 66163626
ethyl 2-(cyclopropylmethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 61001864
ethyl 2-formamido-3-hydroxy-3-(3-propan-2-ylimidazol-4-yl)propanoate
CID 66205117
ethyl 2-(3-cyclopropylimidazol-4-yl)-2-[2-(dimethylamino)ethylamino]acetate
CID 66140830
2-(propan-2-ylamino)-2-(3-propan-2-ylimidazol-4-yl)acetamide
CID 66162615
ethyl 2-(cyclopropylmethylamino)-2-(4-hydroxyphenyl)acetate
CID 54894410
ethyl 2-(cyclopropylmethylamino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
CID 64975145

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate?
The IUPAC name of ethyl 2-(cyclopropylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate (CID 66163023) is ethyl 2-(cyclopropylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(cyclopropylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(cyclopropylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate is CCOC(=O)C(NCC1CC1)c1cncn1C(C)C.
What is the InChIKey of ethyl 2-(cyclopropylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate?
The InChIKey is YRSWVTMYMFVMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-19-14(18)13(16-7-11-5-6-11)12-8-15-9-17(12)10(2)3/h8-11,13,16H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(cyclopropylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate?
ethyl 2-(cyclopropylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate has a molecular weight of 265.36 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate is sourced from PubChem (CID 66163023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).