methyl 3-(1H-imidazol-5-yl)-2-(pyrrolidin-1-ylamino)propanoate

C11H18N4O2 — CID 174462509

IUPACmethyl 3-(1H-imidazol-5-yl)-2-(pyrrolidin-1-ylamino)propanoate
SMILESCOC(=O)C(Cc1cnc[nH]1)NN1CCCC1
InChIInChI=1S/C11H18N4O2/c1-17-11(16)10(6-9-7-12-8-13-9)14-15-4-2-3-5-15/h7-8,10,14H,2-6H2,1H3,(H,12,13)
InChIKeyJJWRAVAZQOOFMT-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.09
Rot. Bonds5

About methyl 3-(1H-imidazol-5-yl)-2-(pyrrolidin-1-ylamino)propanoate

methyl 3-(1H-imidazol-5-yl)-2-(pyrrolidin-1-ylamino)propanoate (PubChem CID 174462509) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 3-(1H-imidazol-5-yl)-2-(pyrrolidin-1-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(1H-imidazol-5-yl)-2-(pyrrolidin-1-ylamino)propanoate
PubChem CID174462509
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Namemethyl 3-(1H-imidazol-5-yl)-2-(pyrrolidin-1-ylamino)propanoate
SMILESCOC(=O)C(Cc1cnc[nH]1)NN1CCCC1
InChIInChI=1S/C11H18N4O2/c1-17-11(16)10(6-9-7-12-8-13-9)14-15-4-2-3-5-15/h7-8,10,14H,2-6H2,1H3,(H,12,13)
InChIKeyJJWRAVAZQOOFMT-UHFFFAOYSA-N
XLogP0.09
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoate
CID 7020801
[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamic acid
CID 19939260
methyl (2S)-3-(1H-imidazol-5-yl)-2-(propan-2-ylcarbamoylamino)propanoate
CID 107876561
3-(1H-imidazol-5-yl)-2-(piperidin-1-ylcarbamoylamino)propanoic acid
CID 83020220
methyl (2S)-2-(dimethylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoate
CID 107876560
methyl 3-(1H-imidazol-5-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 550126
methyl (2S)-2-[[2-[ethyl(methyl)amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoate
CID 142231680
methyl (2S)-2-[[(E)-but-2-enoyl]amino]-3-(1H-imidazol-5-yl)propanoate
CID 107876530
methyl (2S)-2-(tert-butylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoate
CID 107876554
methyl (2S)-2-(difluoromethylsulfonylamino)-3-(1H-imidazol-5-yl)propanoate
CID 114011824
methyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoate
CID 73353617
methyl 3-(1H-imidazol-5-yl)-2-(4-methylpiperidin-1-yl)propanoate
CID 58990410

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1H-imidazol-5-yl)-2-(pyrrolidin-1-ylamino)propanoate?
The IUPAC name of methyl 3-(1H-imidazol-5-yl)-2-(pyrrolidin-1-ylamino)propanoate (CID 174462509) is methyl 3-(1H-imidazol-5-yl)-2-(pyrrolidin-1-ylamino)propanoate.
What is the SMILES notation for methyl 3-(1H-imidazol-5-yl)-2-(pyrrolidin-1-ylamino)propanoate?
The canonical SMILES for methyl 3-(1H-imidazol-5-yl)-2-(pyrrolidin-1-ylamino)propanoate is COC(=O)C(Cc1cnc[nH]1)NN1CCCC1.
What is the InChIKey of methyl 3-(1H-imidazol-5-yl)-2-(pyrrolidin-1-ylamino)propanoate?
The InChIKey is JJWRAVAZQOOFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-17-11(16)10(6-9-7-12-8-13-9)14-15-4-2-3-5-15/h7-8,10,14H,2-6H2,1H3,(H,12,13).
What are the key properties of methyl 3-(1H-imidazol-5-yl)-2-(pyrrolidin-1-ylamino)propanoate?
methyl 3-(1H-imidazol-5-yl)-2-(pyrrolidin-1-ylamino)propanoate has a molecular weight of 238.29 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1H-imidazol-5-yl)-2-(pyrrolidin-1-ylamino)propanoate is sourced from PubChem (CID 174462509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).