2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(3-ethylimidazol-4-yl)acetic acid

C15H23N3O4 — CID 103696716

IUPAC2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(3-ethylimidazol-4-yl)acetic acid
SMILESCCn1cncc1C(C(=O)O)N(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C15H23N3O4/c1-5-17-9-16-8-11(17)12(13(19)20)18(10-6-7-10)14(21)22-15(2,3)4/h8-10,12H,5-7H2,1-4H3,(H,19,20)
InChIKeyBCFPREIRWMKLHQ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.43
Rot. Bonds5

About 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(3-ethylimidazol-4-yl)acetic acid

2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(3-ethylimidazol-4-yl)acetic acid (PubChem CID 103696716) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(3-ethylimidazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(3-ethylimidazol-4-yl)acetic acid
PubChem CID103696716
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(3-ethylimidazol-4-yl)acetic acid
SMILESCCn1cncc1C(C(=O)O)N(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C15H23N3O4/c1-5-17-9-16-8-11(17)12(13(19)20)18(10-6-7-10)14(21)22-15(2,3)4/h8-10,12H,5-7H2,1-4H3,(H,19,20)
InChIKeyBCFPREIRWMKLHQ-UHFFFAOYSA-N
XLogP2.43
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(3-ethylimidazol-4-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(3-ethylimidazol-4-yl)acetic acid?
The IUPAC name of 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(3-ethylimidazol-4-yl)acetic acid (CID 103696716) is 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(3-ethylimidazol-4-yl)acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(3-ethylimidazol-4-yl)acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(3-ethylimidazol-4-yl)acetic acid is CCn1cncc1C(C(=O)O)N(C(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(3-ethylimidazol-4-yl)acetic acid?
The InChIKey is BCFPREIRWMKLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-5-17-9-16-8-11(17)12(13(19)20)18(10-6-7-10)14(21)22-15(2,3)4/h8-10,12H,5-7H2,1-4H3,(H,19,20).
What are the key properties of 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(3-ethylimidazol-4-yl)acetic acid?
2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(3-ethylimidazol-4-yl)acetic acid has a molecular weight of 309.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(3-ethylimidazol-4-yl)acetic acid is sourced from PubChem (CID 103696716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).