methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)propanoate

C10H15N3O2 — CID 165475415

IUPACmethyl 2-amino-3-(2-cyclopropylimidazol-1-yl)propanoate
SMILESCOC(=O)C(N)Cn1ccnc1C1CC1
InChIInChI=1S/C10H15N3O2/c1-15-10(14)8(11)6-13-5-4-12-9(13)7-2-3-7/h4-5,7-8H,2-3,6,11H2,1H3
InChIKeyKTTPHVVLTHVFRM-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.26
Rot. Bonds4

About methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)propanoate

methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)propanoate (PubChem CID 165475415) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(2-cyclopropylimidazol-1-yl)propanoate
PubChem CID165475415
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl 2-amino-3-(2-cyclopropylimidazol-1-yl)propanoate
SMILESCOC(=O)C(N)Cn1ccnc1C1CC1
InChIInChI=1S/C10H15N3O2/c1-15-10(14)8(11)6-13-5-4-12-9(13)7-2-3-7/h4-5,7-8H,2-3,6,11H2,1H3
InChIKeyKTTPHVVLTHVFRM-UHFFFAOYSA-N
XLogP0.26
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)propanoate?
The IUPAC name of methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)propanoate (CID 165475415) is methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)propanoate?
The canonical SMILES for methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)propanoate is COC(=O)C(N)Cn1ccnc1C1CC1.
What is the InChIKey of methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)propanoate?
The InChIKey is KTTPHVVLTHVFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-15-10(14)8(11)6-13-5-4-12-9(13)7-2-3-7/h4-5,7-8H,2-3,6,11H2,1H3.
What are the key properties of methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)propanoate?
methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)propanoate has a molecular weight of 209.25 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)propanoate is sourced from PubChem (CID 165475415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).